==== Shimadzu GCMS Report ====

LABORATORIUM PENELITIAN TERPADU

FAKULTAS FARMASI - UNIVERSITAS AHMAD DAHLAN
Method
Data File : E:\Hasil Analisa LPT-UAD\2017-11-November\Tekkim\Liquid Smoke.qgd
Method File : C:\GCMSsolution\Data\Metode Analisa\Metode Analisis Komposisi.qgm [Comment]
Analyzed by : Admin
===== Analytical Line 1 =====
Analyzed : 22/11/2017 8:41:15
Sample Type : Unknown [AOC-20i]
Level # :1 # of Rinses with Presolvent :2
# of Rinses with Solvent(post) :2
Sample Name : Liquid Smoke # of Rinses with Sample :1
Sample ID : 006 Plunger Speed(Suction) :High
Viscosity Comp. Time :0.2 sec
Plunger Speed(Injection) :High
Syringe Insertion Speed :High
Injection Mode :Normal
Chromatogram Liquid Smoke E:\Hasil Analisa LPT-UAD\2017-11-November\Tekkim\Liquid Smoke.qgd Pumping Times :5
TIC Inj. Port Dwell Time :0.3 sec
Terminal Air Gap :No
28,000,000
5.688

Plunger Washing Speed :High

Washing Volume :8uL
Syringe Suction Position :0.0 mm
Syringe Injection Position :0.0 mm
Use 3 Solvent Vial :1 vial

[GC-2010]
Column Oven Temp. :55.0 °C
Injection Temp. :150.00 °C
Injection Mode :Splitless
Sampling Time :1.00 min
Flow Control Mode :Pressure
Pressure :49.3 kPa
Total Flow :141.9 mL/min
Column Flow :0.92 mL/min
5.333

Linear Velocity :34.9 cm/sec

Purge Flow :3.0 mL/min
Split Ratio :150.0
High Pressure Injection :OFF
Carrier Gas Saver :OFF
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
5.449

- 55.0 5.00
10.00 155.0 5.00
15.00 260.0 5.00

Equilibrium Time :3.0 min

[GC Program]
5.580
5.511

[GCMS-QP2010 SE]

28.340
IonSourceTemp :200.00 °C
Interface Temp. :230.00 °C
Solvent Cut Time :2.00 min
Detector Gain Mode :Relative
5.285 5.395

Detector Gain :1.08 kV +0.00 kV

Threshold :0
5.250
5.201
5.175
5.135
5.100
5.070
4.853
4.929
4.995

[MS Table]
4.709
4.451

10.810
4.115
4.025
3.214
3.155
3.100

3.905
3.282
3.815
3.562

--Group 1 - Event 1--

Start Time :3.00min
6.878

End Time :32.00min

11.942

ACQ Mode :Scan

Event Time :0.30sec
13.591
5.892

17.464
6.251

15.932
8.584

12.516
5.976

15.048

Scan Speed :1666

11.259

14.185
8.760

19.010

20.485

Start m/z :35.00

7.810

9.549
9.877
8.298

End m/z :500.00

Sample Inlet Unit :GC

5.730

[MS Program]
10.0 20.0 30.0 31.0 Use MS Program :OFF
min
 Peak Report TIC
Peak# R.Time I.Time F.Time Area Area% Height Height% A/H Name
1 3.100 3.060 3.110 198313 0.01 106228 0.08 1.87 PROPANE, 1-CHLORO-3-(2-METHOXYETHOXY)-
2 3.155 3.110 3.195 493066 0.02 121392 0.09 4.06 Butanoic acid (CAS) n-Butyric acid
3 3.214 3.195 3.265 320323 0.02 116862 0.09 2.74 Aloxiprin
4 3.282 3.265 3.295 114817 0.01 82942 0.06 1.38 Propane, 1-chloro-2-methyl- (CAS) Isobutyl chloride
5 3.562 3.500 3.620 183627 0.01 49936 0.04 3.68 Acetic acid (CAS) Ethylic acid
6 3.815 3.805 3.865 123040 0.01 59948 0.05 2.05 2-Butanone, 3-hydroxy- (CAS) Acetoin
7 3.905 3.865 3.955 160146 0.01 46328 0.04 3.46 Propanamide, N-acetyl- (CAS) N-Acetylpropionamide
8 4.025 3.990 4.035 107651 0.01 54283 0.04 1.98 Propanal, 2-oxo- (CAS) Pyruvaldehyde
9 4.115 4.070 4.130 119598 0.01 43107 0.03 2.77 Acetic acid, methoxy-, anhydride (CAS) Methoxyacetic anhydride
10 4.451 4.400 4.475 175769 0.01 61451 0.05 2.86 ACETIC ACID, ANHYDRIDE WITH FORMIC ACID
11 4.709 4.645 4.720 181996 0.01 49563 0.04 3.67 1,2-Ethanediol, monoformate (CAS) Glycol monoformate
12 4.853 4.830 4.890 784629 0.04 213100 0.16 3.68 Acetic acid (CAS) Ethylic acid
13 4.929 4.890 4.980 3814085 0.18 688218 0.53 5.54 Acetic acid (CAS) Ethylic acid
14 4.995 4.980 5.025 3042433 0.15 1090763 0.84 2.79 N-(2-MERCAPTO-ETHYL)-ACETAMIDE
15 5.070 5.025 5.080 4963106 0.24 1652686 1.27 3.00 Hydroperoxide, 1,1-dimethylethyl (CAS) Cadox TBH
16 5.100 5.080 5.115 3865254 0.19 1859266 1.43 2.08 3-Methoxy-2,2-dimethyloxirane
17 5.135 5.115 5.145 3740744 0.18 2129235 1.64 1.76 Acetic acid (CAS) Ethylic acid
18 5.175 5.145 5.190 6419414 0.31 2444731 1.88 2.63 3-D-2-BUTYL ACETATE
19 5.201 5.190 5.205 2345439 0.11 2636889 2.03 0.89 Ethane, 1,1'-oxybis- (CAS) Ethyl ether
20 5.250 5.205 5.265 10375545 0.50 3013703 2.32 3.44 N- Acetylacetamide
21 5.285 5.265 5.315 9866688 0.48 3281545 2.53 3.01 Methyl Butyric Acid
22 5.333 5.315 5.385 34505332 1.67 15879399 12.24 2.17 METHYLAMMONIUMCHLORID
23 5.395 5.385 5.425 12723586 0.62 5331157 4.11 2.39 Acetic acid (CAS) Ethylic acid
24 5.449 5.425 5.500 43693569 2.11 12932529 9.97 3.38 Formic acid (CAS) Bilorin
25 5.511 5.500 5.540 18491325 0.89 8825926 6.80 2.10 Acetic acid (CAS) Ethylic acid
26 5.580 5.540 5.605 32944915 1.59 9759948 7.52 3.38 Acetic acid (CAS) Ethylic acid
27 5.688 5.605 5.710 89995735 4.35 26490664 20.42 3.40 Acetic acid (CAS) Ethylic acid
28 5.730 5.710 5.855 370363 0.02 64940 0.05 5.70 Prosta-5,10,13-trien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, methyl ester, (5Z,13E,15S)- (CAS) METHYL-TRIMETHYLSILYL-
29 5.892 5.855 5.930 8509047 0.41 2586753 1.99 3.29 Methyl Butyric Acid
30 5.976 5.930 6.070 15184378 0.73 2316938 1.79 6.55 Propanoic acid (CAS) Propionic acid
31 6.251 6.070 6.515 39647994 1.92 2288820 1.76 17.32 Propanoic acid (CAS) Propionic acid
32 6.878 6.515 7.600 124249332 6.01 3691854 2.85 33.65 2-Propanone, 1-hydroxy- (CAS) Acetol
33 7.810 7.600 8.180 19254475 0.93 805752 0.62 23.90 2-Butanone, 3-methyl- (CAS) 3-Methyl-2-butanone
34 8.298 8.180 8.410 1174413 0.06 115662 0.09 10.15 Pentanoic acid (CAS) Valeric acid
35 8.584 8.480 8.740 11200496 0.54 1203544 0.93 9.31 2(3H)-Furanone, dihydro- (CAS) Butyrolactone
36 8.760 8.740 9.000 3870328 0.19 530998 0.41 7.29 2(5H)-FURANONE
37 9.549 9.450 9.790 927645 0.04 97630 0.08 9.50 2-Cyclopenten-1-one, 3-methyl- (CAS) 3-Methyl-2-cyclopentenone
38 9.877 9.790 10.150 2252864 0.11 214625 0.17 10.50 2(5H)-Furanone, 3-methyl- (CAS) 2-Methyl-2-butenolide
39 10.810 10.200 11.185 85140213 4.12 4090331 3.15 20.81 2-Cyclopenten-1-one, 2-hydroxy-3-methyl- (CAS) Corylon
40 11.259 11.185 11.460 10599278 0.51 731418 0.56 14.49 4-METHYL-5H-FURAN-2-ONE
41 11.942 11.460 12.360 57765191 2.80 1932338 1.49 29.89 2-Butanone, methyl-2-propenylhydrazone (CAS) Methylallylhydrazone methyl ethyl ketone
42 12.516 12.360 13.110 26920903 1.30 975741 0.75 27.59 ETHYLCYCLOPENTENOLONE
43 13.591 13.110 14.060 38832492 1.88 1212071 0.93 32.04 Benzoic acid (CAS) Retardex
44 14.185 14.060 14.385 9839466 0.48 531359 0.41 18.52 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- (CAS) Methylethylmaleimide
45 15.048 14.385 15.210 32168465 1.56 788534 0.61 40.80 2-Thiatricyclo[3.3.1.1(3,7)]decane (CAS) 2-Thiaadamantane
46 15.932 15.210 16.685 69222851 3.35 940357 0.72 73.61 Phosphinic fluoride, diphenyl- (CAS)
47 17.464 16.685 18.885 77126633 3.73 1010342 0.78 76.34 Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol
48 19.010 18.885 20.010 8419550 0.41 249125 0.19 33.80 Propanoic acid, chloro-2-hydroxy- (CAS) CHLORMILCHSAEURE
49 20.485 20.335 20.810 187481 0.01 15894 0.01 11.80 4-BROMO-5,6-DICHLORO-2-BENZOXAZOLINONE
50 28.340 22.285 31.985 1140058741 55.16 4308208 3.32 264.62 Tramat
2066672744 100.00 129725033 100.00
Library
<< Target >>
Line#:1 R.Time:3.100(Scan#:21) MassPeaks:232
RawMode:Averaged 3.095-3.105(20-22) BasePeak:44.95(10170)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

60 77

41
153
96 121 138 235
36 163 183 204 216 251 262 275 300 308 327 342 351 375 384 393 410 431 443 455 468 487

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:39538 Library:WILEY7.LIB
SI:66 Formula:C6 H13 CL O2 CAS:24255-59-2 MolWeight:152 RetIndex:0
CompName:PROPANE, 1-CHLORO-3-(2-METHOXYETHOXY)- $$
100
41

60 77 107
26 89
120 152
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:8295 Library:WILEY7.LIB
SI:63 Formula:C5 H12 O2 CAS:684-84-4 MolWeight:104 RetIndex:0
CompName:1,3-Butanediol, 2-methyl- (CAS) 2-Methyl-1,3-butanediol $$ 2-Methylbutanediol-1,3 $$
100
45

HO CH 2 CHMe CH(OH)Me
41
27 56 71
14 89 101
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:1892 Library:WILEY7.LIB
SI:63 Formula:C3 H9 N O CAS:78-96-6 MolWeight:75 RetIndex:0
CompName:2-Propanol, 1-amino- (CAS) 1-Amino-2-propanol $$ Threamine $$ Isopropanolamine $$ Monoisopropanolamine $$ 2-Hydroxypropylamine $$ 2-Hydroxypropanamine $$ 2-Hydroxy-1-p
100
30

18 45
H 2 NCH 2 CH(OH)Me
60
75
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:2 R.Time:3.155(Scan#:32) MassPeaks:266
RawMode:Averaged 3.150-3.160(31-33) BasePeak:59.95(11925)
BG Mode:Calc. from Peak Group 1 - Event 1
100 60

77
45

41 91
107 121 139 147 155 235
35 176 192 208 221 253 271 281 298 309 326 341 351 377 386 397 415 425 438 460 487

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:3880 Library:WILEY7.LIB
SI:64 Formula:C4 H8 O2 CAS:107-92-6 MolWeight:88 RetIndex:0
CompName:Butanoic acid (CAS) n-Butyric acid $$ Butyric acid $$ 1-Butyric acid $$ n-Butanoic acid $$ Ethylacetic acid $$ Propylformic acid $$ 1-Propanecarboxylic acid $$ ETHYL ACETIC ACID
100
60

27 41 73 PrCO 2 H
87
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:3886 Library:WILEY7.LIB
SI:63 Formula:C4 H8 O2 CAS:107-92-6 MolWeight:88 RetIndex:0
CompName:Butanoic acid (CAS) n-Butyric acid $$ Butyric acid $$ 1-Butyric acid $$ n-Butanoic acid $$ Ethylacetic acid $$ Propylformic acid $$ 1-Propanecarboxylic acid $$
100
60

27
41 73 PrCO 2 H
88
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:7716 Library:WILEY7.LIB
SI:63 Formula:C5 H10 O2 CAS:109-52-4 MolWeight:102 RetIndex:0
CompName:Pentanoic acid (CAS) Valeric acid $$ n-Valeric acid $$ Valerianic acid $$ n-Pentanoic acid $$ Propylacetic acid $$ 1-Butanecarboxylic acid $$ n-C4H9COOH $$ Butanecarboxylic acid $$
100
60

73 HO 2 C (CH 2 ) 3 Me
27 43
87 101
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:3 R.Time:3.215(Scan#:44) MassPeaks:251
RawMode:Averaged 3.210-3.220(43-45) BasePeak:42.95(12174)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
60

77

153
41
91 123 138 177 194
35 102 155 215 236 265 273 292 310 335 360 386 398 420 434 459 489

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:337791 Library:WILEY7.LIB
SI:74 Formula:C45 H35 AL3 O22 CAS:0-00-0 MolWeight:1008 RetIndex:0
CompName:Aloxiprin $$
100
43

60
120
92 138
37 71 105
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:14896 Library:WILEY7.LIB
SI:73 Formula:C4 H9 N O S CAS:0-00-0 MolWeight:119 RetIndex:0
CompName:N-(2-MERCAPTO-ETHYL)-ACETAMIDE $$
100
30 43 60

27 72
85 101 119
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:8338 Library:WILEY7.LIB
SI:73 Formula:C3 H4 O4 CAS:141-82-2 MolWeight:104 RetIndex:0
CompName:Propanedioic acid (CAS) Malonic acid $$ Dicarboxymethane $$ Carboxyacetic acid $$ Methanedicarboxylic acid $$ methyl dicarboxylic acid $$ CH2(COOH)2 $$ USAF ek-695 $$ Kyse
100
42 60

CH 2 (CO 2 H) 2
87
25 77 104
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:4 R.Time:3.280(Scan#:57) MassPeaks:246
RawMode:Averaged 3.275-3.285(56-58) BasePeak:42.95(11786)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

41
77
36 67 153 177
96 123 134 191 211 234 265 293 308 329 341 357 365 384 405 415 426 436 457 490

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:4647 Library:WILEY7.LIB
SI:71 Formula:C4 H9 CL CAS:513-36-0 MolWeight:92 RetIndex:0
CompName:Propane, 1-chloro-2-methyl- (CAS) Isobutyl chloride $$ 1-Chloro-2-methylpropane $$ iso-Butanol $$ Isobutanol $$ iso-C4H9Cl $$ 2-Chloromethylpropane $$ Iso Butyl Chloride $$
100
43

41

27
i-Bu Cl
14 56 77 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:4653 Library:WILEY7.LIB
SI:70 Formula:C4 H9 CL CAS:513-36-0 MolWeight:92 RetIndex:0
CompName:Propane, 1-chloro-2-methyl- (CAS) Isobutyl chloride $$ 1-Chloro-2-methylpropane $$ iso-Butanol $$ Isobutanol $$ iso-C4H9Cl $$ 2-Chloromethylpropane $$ Iso Butyl Chloride $$
100
43

41

27
i-Bu Cl
14 56 77 97
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:8119 Library:WILEY7.LIB
SI:70 Formula:C4 H9 N O2 CAS:10576-12-2 MolWeight:103 RetIndex:0
CompName:ETHANIMIDIC ACID, N-HYDROXY-, ETHYL ESTER $$
100
43

29
75
25 58 86 103
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:5 R.Time:3.560(Scan#:113) MassPeaks:224
RawMode:Averaged 3.555-3.565(112-114) BasePeak:44.95(19830)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45
60

41 8186 103 125 137 178

35 155 210 237 251 261 275 308 319 346 359 369 385 401 412 427 446 461 473 487 495

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:625 Library:WILEY7.LIB
SI:83 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
45 60

HO 2 CMe
29
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:630 Library:WILEY7.LIB
SI:82 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43 60

HO 2 CMe
27
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:633 Library:WILEY7.LIB
SI:81 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
45 60

15
HO 2 CMe
17
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:6 R.Time:3.815(Scan#:164) MassPeaks:233
RawMode:Averaged 3.810-3.820(163-165) BasePeak:42.95(17729)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60
78 86 100 125 139 154 176
38 209 227 251 259 273 282 294 311 331 342 353 371 384 399 415 429 441 458 468 481 491

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:3957 Library:WILEY7.LIB
SI:79 Formula:C4 H8 O2 CAS:513-86-0 MolWeight:88 RetIndex:0
CompName:2-Butanone, 3-hydroxy- (CAS) Acetoin $$ 3-Hydroxy-2-butanone $$ Dimethylketol $$ 2,3-Butanolone $$ 2-Hydroxy-3-butanone $$ Acetyl methyl carbinol $$ Methanol, acetylmethyl- $$
100
45

15 MeCH(OH) COMe
29
59 73 88
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:3962 Library:WILEY7.LIB
SI:78 Formula:C4 H8 O2 CAS:513-86-0 MolWeight:88 RetIndex:0
CompName:2-Butanone, 3-hydroxy- (CAS) Acetoin $$ 3-Hydroxy-2-butanone $$ Dimethylketol $$ 2,3-Butanolone $$ 2-Hydroxy-3-butanone $$ Acetyl methyl carbinol $$ Methanol, acetylmethyl- $$
100
45

MeCH(OH) COMe
15 29
57 72 88 114
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:626 Library:WILEY7.LIB
SI:77 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$
100
43
60
HO 2 CMe
26
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:7 R.Time:3.905(Scan#:182) MassPeaks:243
RawMode:Averaged 3.900-3.910(181-183) BasePeak:42.95(13795)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

75 153
3540 87 108 118 133 179 203 217 235 247 264 282 307 319 330 341 357 373 383 399 417 429 446 472 495

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:13045 Library:WILEY7.LIB
SI:72 Formula:C5 H9 N O2 CAS:19264-34-7 MolWeight:115 RetIndex:0
CompName:Propanamide, N-acetyl- (CAS) N-Acetylpropionamide $$ Propionamide, N-acetyl- $$
100
43

27 57
Ac NHCOEt
26 73 87
115
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:14896 Library:WILEY7.LIB
SI:71 Formula:C4 H9 N O S CAS:0-00-0 MolWeight:119 RetIndex:0
CompName:N-(2-MERCAPTO-ETHYL)-ACETAMIDE $$
100
30 43 60

72
25 85 101 119
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:4291 Library:WILEY7.LIB
SI:70 Formula:C3 H6 O3 CAS:96-26-4 MolWeight:90 RetIndex:0
CompName:2-Propanone, 1,3-dihydroxy- (CAS) Dihydroxyacetone $$ Otan $$ Soleal $$ Oxantin $$ Dihyxal $$ Oxatone $$ Triulose $$ Chromelin $$ Viticolor $$ 1,3-Dihydroxyacetone $$ 1,3-Dihy
100
31

43 HO CH 2 COCH 2 OH
18
14 60 72 87
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:8 R.Time:4.025(Scan#:206) MassPeaks:230
RawMode:Averaged 4.020-4.030(205-207) BasePeak:42.95(33815)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

59
37 81 91 105 121 133 150 165 176 192 205 217 235 251 265 285 302 311 327 347 371 387 401 415 425 446 459 468 486 494

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:1320 Library:WILEY7.LIB
SI:82 Formula:C3 H4 O2 CAS:78-98-8 MolWeight:72 RetIndex:0
CompName:Propanal, 2-oxo- (CAS) Pyruvaldehyde $$ Acetylformyl $$ 2-Oxopropanal $$ Methylglyoxal $$ Pyruvic aldehyde $$ Acetylformaldehyde $$ Pyroracemic aldehyde $$ 2-Ketopropionalde
100
43

15
29
OCH COMe
60 74
87
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:67063 Library:WILEY7.LIB
SI:81 Formula:C8 H16 O4 CAS:112-15-2 MolWeight:176 RetIndex:0
CompName:Ethanol, 2-(2-ethoxyethoxy)-, acetate (CAS) 2-(2-ETHOXYETHOXY) ETHYL ACETATE $$ Carbitol acetate $$ Ethoxydiglycol acetate $$ 2-(2-Ethoxyethoxy)ethyl acetate $$ Diglycol m
100
43

29
Ac O CH 2 CH 2 OCH 2 CH 2 OEt
59 72
87 103 132
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:1454 Library:WILEY7.LIB
SI:81 Formula:C4 H8 O CAS:3266-23-7 MolWeight:72 RetIndex:0
CompName:Oxirane, 2,3-dimethyl- (CAS) 2,3-Epoxybutane $$ 2-Butene oxide $$ .beta.-Oxybutene $$ 2-Butene epoxide $$ 2,3-Butylene oxide $$ Butane, 2,3-epoxy- $$ 2,3-Dimethyloxirane $$ .beta
100
43
O

26 Me Me
57 72
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:9 R.Time:4.115(Scan#:224) MassPeaks:218
RawMode:Averaged 4.110-4.120(223-225) BasePeak:44.95(25447)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

60

76 88 101 113 140

36 161 171 195 213 228 251 260 288 297 312 329 341 355 365 383 400 416 429 446 464 480 492

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:50406 Library:WILEY7.LIB
SI:82 Formula:C6 H10 O5 CAS:19500-95-9 MolWeight:162 RetIndex:0
CompName:Acetic acid, methoxy-, anhydride (CAS) Methoxyacetic anhydride $$ Methoxyacetic acid anhydride $$
100
45

Me O CH 2 C(O) OC(O) CH 2 OMe

60
15 29
72 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:4371 Library:WILEY7.LIB
SI:82 Formula:C3 H6 O3 CAS:625-45-6 MolWeight:90 RetIndex:0
CompName:Acetic acid, methoxy- (CAS) Methoxyacetic acid $$ 2-Methoxyacetic acid $$ CH3OCH2COOH $$ Methoxyethanoic acid $$ METHOXY-ACETIC ACID $$
100
45

60
Me OCH 2 CO 2 H
29
15
72 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:4372 Library:WILEY7.LIB
SI:82 Formula:C3 H6 O3 CAS:625-45-6 MolWeight:90 RetIndex:0
CompName:Acetic acid, methoxy- (CAS) Methoxyacetic acid $$ 2-Methoxyacetic acid $$ CH3OCH2COOH $$ Methoxyethanoic acid $$ METHOXY-ACETIC ACID $$
100
45

29
15
Me OCH 2 CO 2 H
60
14 74 89
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:10 R.Time:4.450(Scan#:291) MassPeaks:219
RawMode:Averaged 4.445-4.455(290-292) BasePeak:43.00(21674)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

74
36 88 106 115 133 144 164 176 189 197 218 252 261 269 288 308 328 343 351 370 384 405 415 433 441 458 487

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:3856 Library:WILEY7.LIB
SI:84 Formula:C3 H4 O3 CAS:2258-42-6 MolWeight:88 RetIndex:0
CompName:ACETIC ACID, ANHYDRIDE WITH FORMIC ACID $$ 5-(2-CHLORO-PHENYL)-1-PHENYL-PYRAZOLIDIN-3-ONE $$
100
43

28 60

25
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:628 Library:WILEY7.LIB
SI:82 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
15 60
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:629 Library:WILEY7.LIB
SI:82 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:11 R.Time:4.710(Scan#:343) MassPeaks:238
RawMode:Averaged 4.705-4.715(342-344) BasePeak:59.95(29597)
BG Mode:Calc. from Peak Group 1 - Event 1
100 60

45

74
3540 91 105 119 134 143 154 178 188 196 211 237 261 269 280 295 309 325 342 354 368 389 401 415 443 456 469 490

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:4376 Library:WILEY7.LIB
SI:77 Formula:C3 H6 O3 CAS:628-35-3 MolWeight:90 RetIndex:0
CompName:1,2-Ethanediol, monoformate (CAS) Glycol monoformate $$ 2-Hydroxyethyl formate $$ Ethylene glycol, monoformate $$ Ethylene glycol monoformate $$
100
31

60 O CH OCH 2 CH 2 OH
44
14 72 91
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:4374 Library:WILEY7.LIB
SI:77 Formula:C3 H6 O3 CAS:628-35-3 MolWeight:90 RetIndex:0
CompName:1,2-Ethanediol, monoformate (CAS) Glycol monoformate $$ 2-Hydroxyethyl formate $$ Ethylene glycol, monoformate $$
100
31

60 O CH OCH 2 CH 2 OH
44
22 73 87
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:14524 Library:WILEY7.LIB
SI:76 Formula:C4 H6 O4 CAS:629-15-2 MolWeight:118 RetIndex:0
CompName:1,2-Ethanediol, diformate (CAS) ETHYLENE DIFORMATE $$ Glycol diformate $$ Ethylene formate $$ Ethylene glycol diformate $$ Ethylene glycol, diformate $$ ETHYLENEGLYCO
100
31

60
44 O CH O CH 2 CH 2 OCH O
26 72 85 99 114
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:12 R.Time:4.855(Scan#:372) MassPeaks:242
RawMode:Averaged 4.850-4.860(371-373) BasePeak:44.95(28165)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

60

35 83 95 110 125 152 163 177 201 216 225 251 263 281 300 316 325 343 364 373 381 405 420 431 445 456 475

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:627 Library:WILEY7.LIB
SI:86 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:626 Library:WILEY7.LIB
SI:84 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$
100
43
60
HO 2 CMe
26
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:628 Library:WILEY7.LIB
SI:84 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
15 60
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:13 R.Time:4.930(Scan#:387) MassPeaks:242
RawMode:Averaged 4.925-4.935(386-388) BasePeak:44.95(19634)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

60

73
37 90 100 115 140 159 171 186 201 217 235 249 266 294 317 327 342 356 377 405 428 437 456 475 491

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:630 Library:WILEY7.LIB
SI:79 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43 60

HO 2 CMe
27
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:625 Library:WILEY7.LIB
SI:78 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
45 60

HO 2 CMe
29
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:627 Library:WILEY7.LIB
SI:78 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:14 R.Time:4.995(Scan#:400) MassPeaks:234
RawMode:Averaged 4.990-5.000(399-401) BasePeak:42.95(12975)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 60

39 70 87 111 139 153 174 186 203 215 227 249 266 281 297 313 330 340 352 378 403 417 429 441 453 468 480 492

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:14896 Library:WILEY7.LIB
SI:75 Formula:C4 H9 N O S CAS:0-00-0 MolWeight:119 RetIndex:0
CompName:N-(2-MERCAPTO-ETHYL)-ACETAMIDE $$
100
30 43 60

27 72
85 101 119
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:210662 Library:WILEY7.LIB
SI:74 Formula:C8 H2 F6 N4 O2 CAS:107210-72-0 MolWeight:300 RetIndex:0
CompName:6,7-bis(trifluoromethyl)pteridine-2,4-(1H,3H)-dione $$ 2,4(1H,3H)-Pteridinedione, 6,7-bis(trifluoromethyl)- (CAS)
100
43 60

71 97 257 300
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:633 Library:WILEY7.LIB
SI:73 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
45 60

15
HO 2 CMe
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:15 R.Time:5.070(Scan#:415) MassPeaks:260
RawMode:Averaged 5.065-5.075(414-416) BasePeak:43.00(7994)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

59

77
88
99 123 133 153 176
35 195 209 223 236 251 279 308 320 329 341 356 371 390 416 444 457 473 492

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:4413 Library:WILEY7.LIB
SI:62 Formula:C4 H10 O2 CAS:75-91-2 MolWeight:90 RetIndex:0
CompName:Hydroperoxide, 1,1-dimethylethyl (CAS) Cadox TBH $$ tert-Butyl hydroperoxide $$ Perbutyl H $$ 2-Hydroperoxy-2-methylpropane $$ 1,1-Dimethylethyl hydroperoxide $$ tert-C4H9O
100
43 57

15 31
HOOBu-t
14 73 90
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:111101 Library:WILEY7.LIB
SI:61 Formula:C8 H11 F3 O3 CAS:108142-10-5 MolWeight:212 RetIndex:0
CompName:(2r,4r)-5,5,5-trifluor-2-(1'-hydroxy-1'-methylethyl)-.gamma.-valerolacton $$ 2(3H)-Furanone, dihydro-3-(1-hydroxy-1-methylethyl)-5-(trifluoromethyl)-, (3R-trans)- (CAS)
100
43 59

85
41
26 77 110 125 153 194
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:48060 Library:WILEY7.LIB
SI:61 Formula:C10 H22 O CAS:69775-79-7 MolWeight:158 RetIndex:0
CompName:ETHER, HEXYL TERT.BUTYL $$ ETHER, 2-PHENYLETHYL TERT.BUTYL $$ Hexane, 1-(1,1-dimethylethoxy)- (CAS) Hexyl tert-butyl ether $$ 1,1-Dimethylethyl 1-hexyl ether $$
100
59

43
41
143
26 83 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:16 R.Time:5.100(Scan#:421) MassPeaks:271
RawMode:Averaged 5.095-5.105(420-422) BasePeak:59.05(3805)
BG Mode:Calc. from Peak Group 1 - Event 1
100 59

43

41
73
143
87
35 124 179 209 251
100 164 229 265 274 285 294 320 341 358 373 386 402 412 431 446 475 488

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:7538 Library:WILEY7.LIB
SI:65 Formula:C5 H10 O2 CAS:26196-04-3 MolWeight:102 RetIndex:0
CompName:3-Methoxy-2,2-dimethyloxirane $$ Oxirane, 3-methoxy-2,2-dimethyl- $$ .+/-.-1-Methoxy-2-methylpropylene oxide $$
100
41 59

27
73 87 102
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:3579 Library:WILEY7.LIB
SI:65 Formula:C6 H14 CAS:110-54-3 MolWeight:86 RetIndex:0
CompName:Hexane (CAS) n-Hexane $$ Skellysolve B $$ n-C6H14 $$ Esani $$ Heksan $$ Hexanen $$ Hexyl hydride $$ Gettysolve-B $$ NCI-C60571 $$ UN 1208 $$
100
41 59
27
Me (CH 2 ) 4 Me
71 86
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:7503 Library:WILEY7.LIB
SI:64 Formula:C5 H10 O2 CAS:762-75-4 MolWeight:102 RetIndex:0
CompName:Formic acid, 1,1-dimethylethyl ester (CAS) tert-Butyl formate $$ Formic acid, tert-butyl ester $$ AMEISENIC ACID, TERT-BUTYLESTER $$
100
59
41

O CHOBu-t
27 43
87
71
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:17 R.Time:5.135(Scan#:428) MassPeaks:267
RawMode:Averaged 5.130-5.140(427-429) BasePeak:42.95(13049)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

73
37 85 106 147 157
119 129 181 193 209 220 234 251 263 290 314 323 338 364 373 389 401 410 428 447 455 476 488

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:627 Library:WILEY7.LIB
SI:79 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:628 Library:WILEY7.LIB
SI:78 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
15 60
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:629 Library:WILEY7.LIB
SI:78 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:18 R.Time:5.175(Scan#:436) MassPeaks:268
RawMode:Averaged 5.170-5.180(435-437) BasePeak:43.00(15007)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

74
57
87 100 118 135 153 163 177 193 219 233 261 289297 322 331 343 352 383 475 486
35 369 400 420 434 444 452

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:13346 Library:WILEY7.LIB
SI:78 Formula:C6 H11 D O2 CAS:53897-33-9 MolWeight:116 RetIndex:0
CompName:3-D-2-BUTYL ACETATE $$ 2-Butan-3-d-ol, acetate (CAS) Acetic acid, sec-butyl-2-d ester (CAS)
100
43

Ac O CHMe CHD Me
15 29 57 87
74 102
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:14616 Library:WILEY7.LIB
SI:77 Formula:C5 H10 O3 CAS:0-00-0 MolWeight:118 RetIndex:0
CompName:1-Acetoxy-2-propanol $$ 2-Hydroxy)propyl acetate $$
100
43

15 31 74
58 87 100 116
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:13347 Library:WILEY7.LIB
SI:76 Formula:C6 H11 D O2 CAS:53897-34-0 MolWeight:116 RetIndex:0
CompName:2-D-2-BUTYL ACETATE $$ 2-Butan-2-d-ol, acetate (CAS) Acetic acid, sec-butyl-2'-d ester (CAS) Acetic acid, sec-butyl-1-d ester (CAS)
100
43

AcO CDEtMe
15 29 57 88
74 102
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:19 R.Time:5.200(Scan#:441) MassPeaks:233
RawMode:Averaged 5.195-5.205(440-442) BasePeak:44.95(3984)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45
59

74

39
96 137
35 110 152 176 195 207 253
123 221 233 268 285 297 311 331 340 356 369 384 397 418 428 443 459 472 489

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:1827 Library:WILEY7.LIB
SI:64 Formula:C4 H10 O CAS:60-29-7 MolWeight:74 RetIndex:0
CompName:Ethane, 1,1'-oxybis- (CAS) Ethyl ether $$ Diethyl ether $$ Ether $$ Pronarcol $$ Ethoxyethane $$ Solvent ether $$ Diethyl oxide $$ Sulfuric ether $$ Anesthesia ether $$ Anesthetic ether
100
31

27
45
59
74 OEt 2
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:14731 Library:WILEY7.LIB
SI:64 Formula:C6 H14 O2 CAS:629-14-1 MolWeight:118 RetIndex:0
CompName:Ethane, 1,2-diethoxy- (CAS) 1,2-Diethoxyethane $$ Glyme-1 $$ Diethyl cellosolve $$ 2-Ethoxyethyl ethyl ether $$ Ethylene glycol diethyl ether $$ Diethylether ethylenglykolu $$ Ethyl g
100
31 45 59

27 74 Et O CH 2 CH 2 OEt
15
102 118
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:4463 Library:WILEY7.LIB
SI:64 Formula:C4 H10 O2 CAS:110-80-5 MolWeight:90 RetIndex:0
CompName:Ethanol, 2-ethoxy- (CAS) 2-Ethoxyethanol $$ Oxitol $$ Emkanol $$ Cellosolve $$ Poly-Solv EE $$ Plastiazan 60 $$ Ethyl cellosolve $$ .beta.-Ethoxyethanol $$ 2-Ethoxyethanol glyme $
100
31
59
44 Et O CH 2 CH 2 OH
32 72
87 99
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:20 R.Time:5.250(Scan#:451) MassPeaks:231
RawMode:Averaged 5.245-5.255(450-452) BasePeak:42.95(24684)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

40 79 88
35 111 137 149 157 173 193 209 227 250 280 297 311 331 345 356 378 401 420 430 445 466 479

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:7259 Library:WILEY7.LIB
SI:77 Formula:C4 H7 N O2 CAS:0-00-0 MolWeight:101 RetIndex:0
CompName:N- Acetylacetamide $$
100
43

59 73
29 41 86 101
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:627 Library:WILEY7.LIB
SI:76 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:629 Library:WILEY7.LIB
SI:76 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:21 R.Time:5.285(Scan#:458) MassPeaks:251
RawMode:Averaged 5.280-5.290(457-459) BasePeak:42.95(22958)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

40 74 88
35 99 117 131 150 166 175 189 200 212 227 251 266 281 304 324 340 356 370 381 397 410 429 441 450 468 477 496

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:7550 Library:WILEY7.LIB
SI:80 Formula:C5 H10 O2 CAS:0-00-0 MolWeight:102 RetIndex:0
CompName:Methyl Butyric Acid $$
100
43 60

41

73 87
14 101
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:627 Library:WILEY7.LIB
SI:79 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:629 Library:WILEY7.LIB
SI:79 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:22 R.Time:5.335(Scan#:468) MassPeaks:329
RawMode:Averaged 5.330-5.340(467-469) BasePeak:35.95(7137710)
BG Mode:Calc. from Peak Group 1 - Event 1
100 36

35

43 60 73 86 99 114 128 147 166 177 191 207 217 235 252 270 285 299 313 325 342 358 367 384 403 411 422 445 475 489

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:867 Library:WILEY7.LIB
SI:97 Formula:C H6 CL N CAS:0-00-0 MolWeight:67 RetIndex:0
CompName:METHYLAMMONIUMCHLORID $$
100
36

27
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:115 Library:WILEY7.LIB
SI:97 Formula:CL H CAS:7647-01-0 MolWeight:36 RetIndex:0
CompName:Hydrochloric acid (CAS) Hydrogen chloride $$ Basilin $$ Salzsaeure $$ Muriatic acid $$ Hydrochloride $$ Chlorohydric acid $$ Anhydrous hydrochloric acid $$ Dilute hydrochloric acid
100
36

ClH
17
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:75114 Library:WILEY7.LIB
SI:95 Formula:C5 H11 CL2 N3 CAS:0-00-0 MolWeight:183 RetIndex:0
CompName:HISTAMINIUMDICHLORIDE $$ HISTAMINIUMDICHLORID $$
100
36

26 54 82 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:23 R.Time:5.395(Scan#:480) MassPeaks:238
RawMode:Averaged 5.390-5.400(479-481) BasePeak:44.95(36940)
BG Mode:Calc. from Peak Group 1 - Event 1
100 45

60

83
41 86 98 114 133 147 158 176 194 209 218 232 251 260 294 310 325 345 358 371 383 400 415 429 443 470 489

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:627 Library:WILEY7.LIB
SI:80 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:626 Library:WILEY7.LIB
SI:80 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$
100
43
60
HO 2 CMe
26
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:628 Library:WILEY7.LIB
SI:79 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
15 60
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:24 R.Time:5.450(Scan#:491) MassPeaks:252
RawMode:Averaged 5.445-5.455(490-492) BasePeak:45.95(3442674)
BG Mode:Calc. from Peak Group 1 - Event 1
100 46

39 57 73 88 100 125 135 143 163 177 193 203 220 236 251 266 286 303 316 330 342 362 383 394 415 429 448 456 488 496

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:249 Library:WILEY7.LIB
SI:98 Formula:C H2 O2 CAS:64-18-6 MolWeight:46 RetIndex:0
CompName:Formic acid (CAS) Bilorin $$ Myrmicyl $$ Formisoton $$ Aminic acid $$ Collo-Didax $$ Formylic acid $$ Methanoic acid $$ Collo-Bueglatt $$ Hydrogen carboxylic acid $$ Formira $$
100
46

O CHOH
44

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:244 Library:WILEY7.LIB
SI:98 Formula:C H2 O2 CAS:64-18-6 MolWeight:46 RetIndex:0
CompName:Formic acid (CAS) Bilorin $$ Myrmicyl $$ Formisoton $$ Aminic acid $$ Collo-Didax $$ Formylic acid $$ Methanoic acid $$ Collo-Bueglatt $$ Hydrogen carboxylic acid $$ Formira $$
100
29
46
O CHOH
17

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:246 Library:WILEY7.LIB
SI:98 Formula:C H2 O2 CAS:64-18-6 MolWeight:46 RetIndex:0
CompName:Formic acid (CAS) Bilorin $$ Myrmicyl $$ Formisoton $$ Aminic acid $$ Collo-Didax $$ Formylic acid $$ Methanoic acid $$ Collo-Bueglatt $$ Hydrogen carboxylic acid $$ Formira $$
100
29
46
O CHOH
17

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:25 R.Time:5.510(Scan#:503) MassPeaks:241
RawMode:Averaged 5.505-5.515(502-504) BasePeak:43.00(427826)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

40 79 94 107 124 139 157 176 195 215 236 249 269 289 301 316 329 342 357 366 385 401 411 431 449 468 479 493

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:631 Library:WILEY7.LIB
SI:95 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
HO 2 CMe
28
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:629 Library:WILEY7.LIB
SI:95 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:632 Library:WILEY7.LIB
SI:95 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
HO 2 CMe
40
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:26 R.Time:5.580(Scan#:517) MassPeaks:262
RawMode:Averaged 5.575-5.585(516-518) BasePeak:43.00(771406)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

35 41 82 110 124 137 154 176 193 205 219 234 251 270 283 307 329 343 353 372 390 399 415 425 435 462 472 486

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:629 Library:WILEY7.LIB
SI:98 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
15 HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:632 Library:WILEY7.LIB
SI:97 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
HO 2 CMe
40
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:631 Library:WILEY7.LIB
SI:97 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43
60
HO 2 CMe
28
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:27 R.Time:5.690(Scan#:539) MassPeaks:445
RawMode:Averaged 5.685-5.695(538-540) BasePeak:42.95(7837115)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

41
35 74 96 105 115 137 158 177 193 207 227 251 267 281 296 309 329 341 356 372 388 401 415 442450 474 493

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:630 Library:WILEY7.LIB
SI:97 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
43 60

HO 2 CMe
27
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:627 Library:WILEY7.LIB
SI:97 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
15 43
60

14
HO 2 CMe
29

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:625 Library:WILEY7.LIB
SI:97 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$ CH3COOH $$ component of Aci-Jel $$ Acetasol $$ Acide acetique $
100
45 60

HO 2 CMe
29
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:28 R.Time:5.730(Scan#:547) MassPeaks:428
RawMode:Averaged 5.725-5.735(546-548) BasePeak:446.00(45)
BG Mode:Calc. from Peak Group 1 - Event 1
100 190 323 446
302 410 423
95 132 349
54 369
35 142 172 238 257 386 468
208 224 311
81 122 161 353
99 212 279
38
481
491

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:293914 Library:WILEY7.LIB
SI:21 Formula:C24 H40 O4 SI CAS:53122-01-3 MolWeight:420 RetIndex:0
CompName:Prosta-5,10,13-trien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, methyl ester, (5Z,13E,15S)- (CAS) METHYL-TRIMETHYLSILYL-PGA2 $$
100
190 349 OSiMe 3
74 CH CH CH(CH 2 ) 4 Me
118
73 90 317 350
106 142 159 173 227 279 299 330
O CH 2 CH CH (CH 2 ) 3 C(O) OMe
253 389 405 420
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:286932 Library:WILEY7.LIB
SI:21 Formula:C8 H16 CL4 N2 P2 S2 CAS:0-00-0 MolWeight:406 RetIndex:0
CompName:N,N'-(2-BUTENYLENE)BIS-(ETHYL)-PHOSPHORAMIDOTHIOIC DICHLORIDE $$
100
68 96 114 190 216 229

41 82 133
42 109 373 408
27 148 301 335
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:309577 Library:WILEY7.LIB
SI:20 Formula:C30 H44 O4 CAS:36871-81-5 MolWeight:468 RetIndex:0
CompName:Lanost-9(11)-en-18-oic acid, 20-hydroxy-3,23-dioxo-, (20.xi.)- (CAS)
100
57 O
O
CH 2 COCH 2 CHMe 2
Me
468
85
41 83 323 Me

407
Me

105 125 143 269 337

O
423
157 171 185 201 453
Me
307 369Me

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:29 R.Time:5.890(Scan#:579) MassPeaks:325
RawMode:Averaged 5.885-5.895(578-580) BasePeak:43.00(390544)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

60

74
41
35 96 125 137 158 177 193 207 225 250 267 289 301 316 331 345 355 375 390 404 413 424 439 453 467 481 493

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:7550 Library:WILEY7.LIB
SI:85 Formula:C5 H10 O2 CAS:0-00-0 MolWeight:102 RetIndex:0
CompName:Methyl Butyric Acid $$
100
43 60
41

73 87
14 101
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:4424 Library:WILEY7.LIB
SI:85 Formula:C4 H10 O2 CAS:107-88-0 MolWeight:90 RetIndex:0
CompName:1,3-Butanediol (CAS) 1,3-Butylene glycol $$ 1,3-Dihydroxybutane $$ .beta.-Butylene glycol $$ 1-Methyl-1,3-propanediol $$ Methyltrimethylene glycol $$ Butane-1,3-diol $$ BD $$ 1,3-
100
43
OH
72
27 57 HO CH 2 CH 2 CHMe
26 87
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:626 Library:WILEY7.LIB
SI:85 Formula:C2 H4 O2 CAS:64-19-7 MolWeight:60 RetIndex:0
CompName:Acetic acid (CAS) Ethylic acid $$ Vinegar acid $$ Ethanoic acid $$ Glacial acetic acid $$ Methanecarboxylic acid $$
100
43
60
HO 2 CMe
26
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:30 R.Time:5.975(Scan#:596) MassPeaks:255
RawMode:Averaged 5.970-5.980(595-597) BasePeak:74.00(124882)
BG Mode:Calc. from Peak Group 1 - Event 1
100 74

45
57

35 95 112 137 154 181 193 207 225 239 258 269 289 301 311 327 337 356 367 386 401 429 452 463 481 492

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:1677 Library:WILEY7.LIB
SI:94 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
45 74

57 HO 2 CEt
36 89 109
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:1673 Library:WILEY7.LIB
SI:94 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
28 74
27 45

57
HO 2 CEt
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:1676 Library:WILEY7.LIB
SI:92 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
28 74
27 45
57 HO 2 CEt
18

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:31 R.Time:6.250(Scan#:651) MassPeaks:234
RawMode:Averaged 6.245-6.255(650-652) BasePeak:74.00(321359)
BG Mode:Calc. from Peak Group 1 - Event 1
100 74

45

57

35 41 94 112 135 145 156 173 193 209 227 241 253 267 292 309 325 340 352 373 386 400 408 429 438 452 473 488

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:1677 Library:WILEY7.LIB
SI:97 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
45 74

57 HO 2 CEt
36 89 109
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:1676 Library:WILEY7.LIB
SI:96 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
28 74
27 45
57 HO 2 CEt
18

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:1673 Library:WILEY7.LIB
SI:95 Formula:C3 H6 O2 CAS:79-09-4 MolWeight:74 RetIndex:0
CompName:Propanoic acid (CAS) Propionic acid $$ Prozoin $$ Luprosil $$ Luprisol $$ Carboxyethane $$ Metacetonic acid $$ Ethylformic acid $$ Pseudoacetic acid $$ Ethanecarboxylic acid $$ M
100
28 74
27 45

57
HO 2 CEt
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:32 R.Time:6.880(Scan#:777) MassPeaks:248
RawMode:Averaged 6.875-6.885(776-778) BasePeak:43.00(2210401)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

74
3641 60 87 102 116 139 158 177 194 211 234 252 267 281 295 311 331 342 352 376 388 398 417 429 440 453 465 489

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:1707 Library:WILEY7.LIB
SI:97 Formula:C3 H6 O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy- (CAS) Acetol $$ Hydroxyacetone $$ Acetylcarbinol $$ Acetone alcohol $$ Methanol, acetyl- $$ 1-Hydroxy-2-propanone $$ CH3C(O)CH2OH $$ Hydroxypropa
100
43

HO CH 2 COMe
15 31
56 74
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:1711 Library:WILEY7.LIB
SI:96 Formula:C3 H6 O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy- (CAS) Acetol $$ Hydroxyacetone $$ Acetylcarbinol $$ Acetone alcohol $$ Methanol, acetyl- $$ 1-Hydroxy-2-propanone $$ CH3C(O)CH2OH $$ Hydroxypropa
100
43

HO CH 2 COMe
31 74
25 56
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:1712 Library:WILEY7.LIB
SI:96 Formula:C3 H6 O2 CAS:116-09-6 MolWeight:74 RetIndex:0
CompName:2-Propanone, 1-hydroxy- (CAS) Acetol $$ Hydroxyacetone $$ Acetylcarbinol $$ Acetone alcohol $$ Methanol, acetyl- $$ 1-Hydroxy-2-propanone $$ CH3C(O)CH2OH $$ Hydroxypropa
100
43

HO CH 2 COMe
15 27 74
58
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:33 R.Time:7.810(Scan#:963) MassPeaks:265
RawMode:Averaged 7.805-7.815(962-964) BasePeak:43.00(207886)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43

86

39
68 116
36 98 135 153 172 191 207 227 251 267 281 303 316 328 341 353 366 383 401 417 440 449 472 480

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:3410 Library:WILEY7.LIB
SI:88 Formula:C5 H10 O CAS:563-80-4 MolWeight:86 RetIndex:0
CompName:2-Butanone, 3-methyl- (CAS) 3-Methyl-2-butanone $$ Methyl isopropyl ketone $$ Methyl butanone-2 $$ Methylbutanone $$ Isopropyl methyl ketone $$ Ketone, isopropyl methyl $$ 3-M
100
43

Me 2 CH COMe
27 41 86
57 71
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:19642 Library:WILEY7.LIB
SI:87 Formula:C6 H8 O3 CAS:0-00-0 MolWeight:128 RetIndex:0
CompName:2-Butenal, 4-(acetyloxy)- $$
100
43

29 39 69 86
70 99
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:20200 Library:WILEY7.LIB
SI:87 Formula:C6 H8 O3 CAS:517-23-7 MolWeight:128 RetIndex:0
CompName:2(3H)-Furanone, 3-acetyldihydro- (CAS) 2-Acetylbutyrolactone $$ .alpha.-Acetobutyrolactone $$ .alpha.-Acetylbutyrolactone $$ 2-Oxo-3-acetyltetrahydrofuran $$ 3-Acetyltetrahydro-2-f
100
43
O
86 Ac
O
27 41
69 100 113 128
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:34 R.Time:8.300(Scan#:1061) MassPeaks:250
RawMode:Averaged 8.295-8.305(1060-1062) BasePeak:59.95(24443)
BG Mode:Calc. from Peak Group 1 - Event 1
100 60

73
55

41
37 96 108 137 152 172 183 207 234 252 266 282 306 317 328 341 359 368 383 405 413 425 438 453 489
466

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:7716 Library:WILEY7.LIB
SI:81 Formula:C5 H10 O2 CAS:109-52-4 MolWeight:102 RetIndex:0
CompName:Pentanoic acid (CAS) Valeric acid $$ n-Valeric acid $$ Valerianic acid $$ n-Pentanoic acid $$ Propylacetic acid $$ 1-Butanecarboxylic acid $$ n-C4H9COOH $$ Butanecarboxylic acid $$
100
60

73 HO 2 C (CH 2 ) 3 Me
27 43
87 101
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:7714 Library:WILEY7.LIB
SI:81 Formula:C5 H10 O2 CAS:109-52-4 MolWeight:102 RetIndex:0
CompName:Pentanoic acid (CAS) Valeric acid $$ n-Valeric acid $$ Valerianic acid $$ n-Pentanoic acid $$ Propylacetic acid $$ 1-Butanecarboxylic acid $$
100
60

27 73 HO 2 C (CH 2 ) 3 Me
45
87 101
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:7715 Library:WILEY7.LIB
SI:80 Formula:C5 H10 O2 CAS:109-52-4 MolWeight:102 RetIndex:0
CompName:Pentanoic acid (CAS) Valeric acid $$ n-Valeric acid $$ Valerianic acid $$ n-Pentanoic acid $$ Propylacetic acid $$ 1-Butanecarboxylic acid $$ n-C4H9COOH $$ Butanecarboxylic acid $$
100
60

73 HO 2 C (CH 2 ) 3 Me
41
36 87 101
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:35 R.Time:8.585(Scan#:1118) MassPeaks:227
RawMode:Averaged 8.580-8.590(1117-1119) BasePeak:42.00(395585)
BG Mode:Calc. from Peak Group 1 - Event 1
100 42

41

86

57
36 70 101 120 133 153 163 193 209 221 236 252 269 289 299 316 327 348 365 389 417 430 456 486 494

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:3286 Library:WILEY7.LIB
SI:95 Formula:C4 H6 O2 CAS:96-48-0 MolWeight:86 RetIndex:0
CompName:2(3H)-Furanone, dihydro- (CAS) Butyrolactone $$ 6480 $$ .gamma.-Butyrolactone $$ .gamma.-BL $$ 4-Butanolide $$ 1,4-Butanolide $$ 4-Butyrolactone $$ Butyryl lactone $$ Butyric a
100
28 42
O
O
27
56 86

24 73
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:15907 Library:WILEY7.LIB
SI:95 Formula:C4 H7 CL O2 CAS:627-00-9 MolWeight:122 RetIndex:0
CompName:Butanoic acid, 4-chloro- $$ Butyric acid, 4-chloro- $$ .gamma.-Chlorobutyric acid $$ Gammachlorobutyric acid $$ 4-Chlorobutanoic acid $$ 4-Chlorobutyric acid $$ Cl(CH2)3COOH $$
100
28 42

27 56
86 HO 2 C (CH 2 ) 3 Cl
14
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:3285 Library:WILEY7.LIB
SI:94 Formula:C4 H6 O2 CAS:96-48-0 MolWeight:86 RetIndex:0
CompName:2(3H)-Furanone, dihydro- (CAS) Butyrolactone $$ 6480 $$ .gamma.-Butyrolactone $$ .gamma.-BL $$ 4-Butanolide $$ 1,4-Butanolide $$ 4-Butyrolactone $$ Butyryl lactone $$ Butyric a
100
28
42
O
O
27
56 86
70
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:36 R.Time:8.760(Scan#:1153) MassPeaks:220
RawMode:Averaged 8.755-8.765(1152-1154) BasePeak:54.95(29541)
BG Mode:Calc. from Peak Group 1 - Event 1
100 55

84

38
36 59 85 99 114 135 147155 181 197 221 252 267 281 302 315 327 343 354 385 395 420 441 451 463
369 482 495

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:2717 Library:WILEY7.LIB
SI:81 Formula:C4 H4 O2 CAS:497-23-4 MolWeight:84 RetIndex:0
CompName:2(5H)-FURANONE $$ 4-HYDROXYBUT-2-ENOIC ACID LACTONE $$
100
27 55

84
29
56 83
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:2715 Library:WILEY7.LIB
SI:78 Formula:C4 H4 O2 CAS:20825-71-2 MolWeight:84 RetIndex:0
CompName:2(3H)-Furanone (CAS) .alpha.-Furanone $$ .alpha.-Crotonolactone $$ 2-Butenoic acid lactone $$ .DELTA..beta.,.gamma.-Butenolide $$ 3-Butenoic acid, 4-hydroxy-, .gamma.-lactone $$
100
28 55 84
18
O
O

56 83
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:2716 Library:WILEY7.LIB
SI:77 Formula:C4 H4 O2 CAS:497-23-4 MolWeight:84 RetIndex:0
CompName:2(5H)-FURANONE $$ 4-HYDROXYBUT-2-ENOIC ACID LACTONE $$
100
55

27 84
29 56 83
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:37 R.Time:9.550(Scan#:1311) MassPeaks:215
RawMode:Averaged 9.545-9.555(1310-1312) BasePeak:96.00(26024)
BG Mode:Calc. from Peak Group 1 - Event 1
100 96
67

53

81
40

35 105 124 139 149 178 193 202 218 233 248 267 285 299 312 333 355 368 385 401 413 429437 458 484

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:1 Entry:5350 Library:WILEY7.LIB
SI:88 Formula:C6 H8 O CAS:2758-18-1 MolWeight:96 RetIndex:0
CompName:2-Cyclopenten-1-one, 3-methyl- (CAS) 3-Methyl-2-cyclopentenone $$ 3-Methyl-2-cyclopenten-1-one $$ 1-Methyl-1-cyclopenten-3-one $$ 3-methylcyclopent-2-enone $$ 3-METHYL-2-C
100
96
67
39
53 O Me
81

36 98
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:2 Entry:5348 Library:WILEY7.LIB
SI:86 Formula:C6 H8 O CAS:2758-18-1 MolWeight:96 RetIndex:0
CompName:2-Cyclopenten-1-one, 3-methyl- (CAS) 3-Methyl-2-cyclopentenone $$ 3-Methyl-2-cyclopenten-1-one $$ 1-Methyl-1-cyclopenten-3-one $$ 3-methylcyclopent-2-enone $$ 3-METHYL-2-C
100
96

39 53 67 O Me
81

31 98
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:3 Entry:5349 Library:WILEY7.LIB
SI:86 Formula:C6 H8 O CAS:2758-18-1 MolWeight:96 RetIndex:0
CompName:2-Cyclopenten-1-one, 3-methyl- (CAS) 3-Methyl-2-cyclopentenone $$ 3-Methyl-2-cyclopenten-1-one $$ 1-Methyl-1-cyclopenten-3-one $$ 3-methylcyclopent-2-enone $$ 3-METHYL-2-C
100
96
53 67
39
81 O Me
27
98
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
<< Target >>
Line#:38 R.Time:9.875(Scan#:1376) MassPeaks:277
RawMode:Averaged 9.870-9.880(1375-1377) BasePeak:41.00(48026)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41

69 98

43

71

35 99 115 126 141 163 179 194 220 251 267 281 294 314 330 346 356 373 382 402 426 443 458 485 493

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:1 Entry:5834 Library:WILEY7.LIB
SI:85 Formula:C5 H6 O2 CAS:22122-36-7 MolWeight:98 RetIndex:0
CompName:2(5H)-Furanone, 3-methyl- (CAS) 2-Methyl-2-butenolide $$ .alpha.-Methyl-.gamma.-crotonolactone $$ 2-METHYLBUT-2-ENOLIDE $$ 2(5H)-FURANON, 3-METHYL- $$
100
41
O
69
98 Me
O
27 42
70 84
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:2 Entry:5835 Library:WILEY7.LIB
SI:83 Formula:C5 H6 O2 CAS:22122-36-7 MolWeight:98 RetIndex:0
CompName:2(5H)-Furanone, 3-methyl- (CAS) 2-Methyl-2-butenolide $$ .alpha.-Methyl-.gamma.-crotonolactone $$ 2-METHYLBUT-2-ENOLIDE $$ 2(5H)-FURANON, 3-METHYL- $$
100
41 69 98
O

O Me

37 53 70
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
Hit#:3 Entry:5605 Library:WILEY7.LIB
SI:82 Formula:C5 H6 O2 CAS:74017-10-0 MolWeight:98 RetIndex:0
CompName:6-OXA-BICYCLO[3.1.0]HEXAN-3-ONE $$
100
41
98

27 69
70 97
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
<< Target >>
Line#:39 R.Time:10.810(Scan#:1563) MassPeaks:258
RawMode:Averaged 10.805-10.815(1562-1564) BasePeak:112.00(611580)
BG Mode:Calc. from Peak Group 1 - Event 1
100 112

55
69 94
41
83

111
35 129 141 165 179 187 209 221 235 249 280 302 311 327 345 357 371 390 400 413 429 446 473 486

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:11139 Library:WILEY7.LIB
SI:91 Formula:C6 H8 O2 CAS:80-71-7 MolWeight:112 RetIndex:0
CompName:2-Cyclopenten-1-one, 2-hydroxy-3-methyl- (CAS) Corylon $$ Corylone $$ Cycloten $$ Cyclotene $$ 2-Hydroxy-1-methylcyclopenten-3-one $$ Maple lactone $$ 2-HYDROXY-3-METH
100
112
Me
55 69
41 83
HO O
37 111 131
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:11140 Library:WILEY7.LIB
SI:89 Formula:C6 H8 O2 CAS:80-71-7 MolWeight:112 RetIndex:0
CompName:2-Cyclopenten-1-one, 2-hydroxy-3-methyl- (CAS) Corylon $$ Corylone $$ Cycloten $$ Cyclotene $$ 2-Hydroxy-1-methylcyclopenten-3-one $$ Maple lactone $$ 2-HYDROXY-3-METH
100
112
Me
41 55 69
27 83
HO O
111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:10668 Library:WILEY7.LIB
SI:89 Formula:C6 H8 O2 CAS:765-70-8 MolWeight:112 RetIndex:0
CompName:1,2-Cyclopentanedione, 3-methyl- (CAS) 3-Methyl-1,2-cyclopentanedione $$ 3-Methylcyclopentane-1,2-dione $$
100
112
Me
55 69
41
83
27 O O
97 111
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:40 R.Time:11.260(Scan#:1653) MassPeaks:220
RawMode:Averaged 11.255-11.265(1652-1654) BasePeak:69.00(30256)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41

98
126
42
79 95
35 125 149 165 179 196 209 235 251 277 285 303 331 346 360 391 405 426 445 456 472 486

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:5890 Library:WILEY7.LIB
SI:83 Formula:C5 H6 O2 CAS:6124-79-4 MolWeight:98 RetIndex:0
CompName:4-METHYL-5H-FURAN-2-ONE $$ 2(5H)-FURANONE, 4-METHYL- $$
100
69
41

98
27 42 70 97
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:5889 Library:WILEY7.LIB
SI:81 Formula:C5 H6 O2 CAS:6124-79-4 MolWeight:98 RetIndex:0
CompName:4-METHYL-5H-FURAN-2-ONE $$ 2(5H)-FURANONE, 4-METHYL- $$
100
69
41

98
27 70
42 97
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:5845 Library:WILEY7.LIB
SI:81 Formula:C5 H6 O2 CAS:591-11-7 MolWeight:98 RetIndex:0
CompName:2(5H)-Furanone, 5-methyl- (identity?) (CAS) 2-Penten-4-olide $$ 2(5H)-Furanone,5-methyl- (CAS) 2(5H)-FURANON, 4-METHYL- $$ .beta.-Angelica lactone $$ 5-Methyl-2(5H)-furano
100
69
41 Me

O
98
27 O
42 70 97
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:41 R.Time:11.940(Scan#:1789) MassPeaks:250
RawMode:Averaged 11.935-11.945(1788-1790) BasePeak:42.00(340114)
BG Mode:Calc. from Peak Group 1 - Event 1
100 42

127
113
41
56 71

35 85 99 143 154 177 195 220 235 253 267 285 307315 331 346 359 377 405 417 429 462 473

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:29090 Library:WILEY7.LIB
SI:78 Formula:C8 H16 N2 CAS:62237-77-8 MolWeight:140 RetIndex:0
CompName:2-Butanone, methyl-2-propenylhydrazone (CAS) Methylallylhydrazone methyl ethyl ketone $$
100
42
99
140 H 2 C CH CH 2 NMe N CEtMe
41 70 113
58
27 97
139
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:31063 Library:WILEY7.LIB
SI:78 Formula:C8 H18 N2 CAS:57874-52-9 MolWeight:142 RetIndex:0
CompName:2-Butanone, (1-methylpropyl)hydrazone (CAS) sec-Butylhydrazone methyl ethyl ketone $$ Methylethylketone sec-butylhydrazone $$
100
42
113

EtCMe NNHBu-s
70 142
27 57 85 111 127
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:31068 Library:WILEY7.LIB
SI:77 Formula:C8 H18 N2 CAS:28236-94-4 MolWeight:142 RetIndex:0
CompName:2-Butanone, diethylhydrazone (CAS) Diethylhydrazone methylethylketone $$ Methylethylketone diethylhydrazone $$
100
42
127
Et 2 N N CEtMe
29 57 70 142
41
86 99 113
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:42 R.Time:12.515(Scan#:1904) MassPeaks:253
RawMode:Averaged 12.510-12.520(1903-1905) BasePeak:126.00(65641)
BG Mode:Calc. from Peak Group 1 - Event 1
100 126

55

83
84
69
39
111 125 141
154 179 189 199 220 237 250 267 283 297 315 331 346 355 373 385 405 415 429 447 458 475

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:18226 Library:WILEY7.LIB
SI:88 Formula:C7 H10 O2 CAS:0-00-0 MolWeight:126 RetIndex:0
CompName:ETHYLCYCLOPENTENOLONE $$
100
126
55
41 69 83
111 125

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:18227 Library:WILEY7.LIB
SI:87 Formula:C7 H10 O2 CAS:21835-01-8 MolWeight:126 RetIndex:0
CompName:3-Ethyl-2-hydroxy-2-cyclopenten-1-one $$ 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy- $$
100
126
55
83
41 69
84
111
125
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:18198 Library:WILEY7.LIB
SI:83 Formula:C7 H10 O2 CAS:0-00-0 MolWeight:126 RetIndex:0
CompName:3,5-DIMETHYL CYCLOPENTENOLONE $$
100
126

111
41 55 69 83
97
125
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:43 R.Time:13.590(Scan#:2119) MassPeaks:259
RawMode:Averaged 13.585-13.595(2118-2120) BasePeak:104.95(157553)
BG Mode:Calc. from Peak Group 1 - Event 1
100 105
122
77

51

41 56
92 127
35 146 162 177 186 207 227 250 268 283 303 328 346 355 377 385 401 409 430 451 475 487 496

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:16323 Library:WILEY7.LIB
SI:85 Formula:C7 H6 O2 CAS:65-85-0 MolWeight:122 RetIndex:0
CompName:Benzoic acid (CAS) Retardex $$ HA 1 $$ Tenn-Plas $$ Retarder BA $$ Benzoic aicd $$ Solvo powder $$ Salvo liquid $$ Dracylic acid $$ Carboxybenzene $$ Benzoate $$ Benzoesaeure
100
105 122
77 CO 2 H
51

36 65 94
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:16326 Library:WILEY7.LIB
SI:85 Formula:C7 H6 O2 CAS:65-85-0 MolWeight:122 RetIndex:0
CompName:Benzoic acid (CAS) Retardex $$ HA 1 $$ Tenn-Plas $$ Retarder BA $$ Benzoic aicd $$ Solvo powder $$ Salvo liquid $$ Dracylic acid $$ Carboxybenzene $$ Benzoate $$ Benzoesaeure
100
105 122
77 CO 2 H

51

27 39 65 94
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:16328 Library:WILEY7.LIB
SI:84 Formula:C7 H6 O2 CAS:65-85-0 MolWeight:122 RetIndex:0
CompName:Benzoic acid (CAS) Retardex $$ HA 1 $$ Tenn-Plas $$ Retarder BA $$ Benzoic aicd $$ Solvo powder $$ Salvo liquid $$ Dracylic acid $$ Carboxybenzene $$ Benzoate $$ Benzoesaeure
100
77 105 122
CO 2 H

51
27 65 94
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:44 R.Time:14.185(Scan#:2238) MassPeaks:246
RawMode:Averaged 14.180-14.190(2237-2239) BasePeak:138.95(19100)
BG Mode:Calc. from Peak Group 1 - Event 1
100 139
67

53
124

39 96
111
83 177 185
144 163 209 232 249 268 292 307 327 346 355 367 387 406 418 431 441 453 474 483 491

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:28561 Library:WILEY7.LIB
SI:82 Formula:C7 H9 N O2 CAS:20189-42-8 MolWeight:139 RetIndex:0
CompName:1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- (CAS) Methylethylmaleimide $$ Ethylmethylmaleimide $$ 2-Ethyl-3-methylmaleimide $$ Maleimide, 2-ethyl-3-methyl- $$ 3-Ethyl-4-methyl-1H-p
100
139 O
67
53 124 HN Me

96
51 81 106 140 O Et

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:28563 Library:WILEY7.LIB
SI:77 Formula:C7 H9 N O2 CAS:20189-42-8 MolWeight:139 RetIndex:0
CompName:1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- (CAS) Methylethylmaleimide $$ Ethylmethylmaleimide $$ 2-Ethyl-3-methylmaleimide $$ Maleimide, 2-ethyl-3-methyl- $$ 3-Ethyl-4-methyl-1H-p
100
67 139 O

53 HN Me
124
96
110 140 O Et

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:28562 Library:WILEY7.LIB
SI:74 Formula:C7 H9 N O2 CAS:20189-42-8 MolWeight:139 RetIndex:0
CompName:1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- (CAS) Methylethylmaleimide $$ Ethylmethylmaleimide $$ 2-Ethyl-3-methylmaleimide $$ Maleimide, 2-ethyl-3-methyl- $$ 3-Ethyl-4-methyl-1H-p
100
53 67 139 O
124
HN Me
96
110
81 140 O Et

30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:45 R.Time:15.045(Scan#:2410) MassPeaks:277
RawMode:Averaged 15.040-15.050(2409-2411) BasePeak:78.95(18433)
BG Mode:Calc. from Peak Group 1 - Event 1
100 79

220
54 154

39 113 253
91 99 331
56 139
36 155 181 193 227 239 269 281 297 315 346 371 381 401 413 423 448 470 489

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:43563 Library:WILEY7.LIB
SI:59 Formula:C9 H14 S CAS:281-25-4 MolWeight:154 RetIndex:0
CompName:2-Thiatricyclo[3.3.1.1(3,7)]decane (CAS) 2-Thiaadamantane $$ TRICYCLO-[3.3.1(3,7)]-2-THIADECANE $$ 2-THIATRICYCLO(3.3.1.1.3.7)DECANE $$ 2-Thiatricyclo-[3.3.1.1<3,7>
100
79 154

41
27 S
45 65 97
121
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:43562 Library:WILEY7.LIB
SI:56 Formula:C9 H14 S CAS:281-25-4 MolWeight:154 RetIndex:0
CompName:2-Thiatricyclo[3.3.1.1(3,7)]decane (CAS) 2-Thiaadamantane $$ TRICYCLO-[3.3.1(3,7)]-2-THIADECANE $$ 2-THIATRICYCLO(3.3.1.1.3.7)DECANE $$ 2-Thiatricyclo-[3.3.1.1<3,7>
100
79 154

39
27 S
67 97
121
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:4829 Library:WILEY7.LIB
SI:56 Formula:C7 H10 CAS:65939-59-5 MolWeight:94 RetIndex:0
CompName:1-HEPTEN-6-YNE $$
100
79
39
27 54

66 93

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:46 R.Time:15.930(Scan#:2587) MassPeaks:274
RawMode:Averaged 15.925-15.935(2586-2588) BasePeak:219.85(48061)
BG Mode:Calc. from Peak Group 1 - Event 1
100 154 220

77

51 199
155
59 93 110 126 253
36 173 191 227 239 271 281 307 315 331 341 351 365 379 403 415 423 446 458 469 487

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:119488 Library:WILEY7.LIB
SI:66 Formula:C12 H10 F O P CAS:1135-98-4 MolWeight:220 RetIndex:0
CompName:Phosphinic fluoride, diphenyl- (CAS)
100
219
51

77 PF O

50 127 199
152
63 109
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:119489 Library:WILEY7.LIB
SI:66 Formula:C12 H10 F2 SI CAS:312-40-3 MolWeight:220 RetIndex:0
CompName:Silane, difluorodiphenyl- (CAS) Diphenyldifluorosilane $$ Difluorodiphenylsilane $$ Diphenylsilane difluoride $$
100
220
154
SiF 2
77
143 199
224
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:120846 Library:WILEY7.LIB
SI:66 Formula:C12 H10 CL P CAS:1079-66-9 MolWeight:220 RetIndex:0
CompName:Phosphinous chloride, diphenyl- (CAS) Diphenylchlorophosphine $$ Chlorodiphenylphosphine $$ Diphenylphosphine chloride $$ Phosphine, chlorodiphenyl- $$ Diphenylphosphinous chl
100
154 220
Cl
183 P
107
51 143
77 92
27 36 57 115 133 170
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:47 R.Time:17.465(Scan#:2894) MassPeaks:315
RawMode:Averaged 17.460-17.470(2893-2895) BasePeak:153.95(79676)
BG Mode:Calc. from Peak Group 1 - Event 1
100 154

43
139

93 111
65 79
39
123 155
37 179 191 207 227 239 253 267 285 295 309 326 346 355 365 387 403 417 429 443 452 475 492

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:43409 Library:WILEY7.LIB
SI:82 Formula:C8 H10 O3 CAS:91-10-1 MolWeight:154 RetIndex:0
CompName:Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol $$ DIMETHOXY PHENOL $$ Syringol $$ Pyrogallol 1,3-dimethyl ether $$ 1,3-Dimethoxy-2-hydroxybenzene $$ 2-Hydroxy-1,3-di
100
154
OH
139 Me O OMe

93 111
39 51 65 79
15 27 125 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:43411 Library:WILEY7.LIB
SI:79 Formula:C8 H10 O3 CAS:91-10-1 MolWeight:154 RetIndex:0
CompName:Phenol, 2,6-dimethoxy- (CAS) 2,6-Dimethoxyphenol $$ DIMETHOXY PHENOL $$ Syringol $$ Pyrogallol 1,3-dimethyl ether $$ 1,3-Dimethoxy-2-hydroxybenzene $$ 2-Hydroxy-1,3-di
100
154
OH
139
39 93 Me O OMe
15 111
51 65
79
14 125 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:43414 Library:WILEY7.LIB
SI:78 Formula:C8 H10 O3 CAS:2033-89-8 MolWeight:154 RetIndex:0
CompName:Phenol, 3,4-dimethoxy- (CAS) 3,4-Dimethoxyphenol $$ 3,4-DIMETHOXY-PHENOL $$
100
139 154 OMe
OMe
111

39 55 69 81 93
26 112 140 OH

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:48 R.Time:19.010(Scan#:3203) MassPeaks:257
RawMode:Averaged 19.005-19.015(3202-3204) BasePeak:78.95(7799)
BG Mode:Calc. from Peak Group 1 - Event 1
100 79

43
207
115
87 149 177 253 285 331
60 195 213 239
41 108 137 156 225 267 346 359 371 405 417 428
35 307 385 441 457 471 479 491

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:1 Entry:16919 Library:WILEY7.LIB
SI:50 Formula:C3 H5 CL O3 CAS:74792-92-0 MolWeight:124 RetIndex:0
CompName:Propanoic acid, chloro-2-hydroxy- (CAS) CHLORMILCHSAEURE $$
100
43 79
D1 Cl
29

27 MeCH(OH)CO 2 H
58 85 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:2 Entry:57686 Library:WILEY7.LIB
SI:49 Formula:C10 H16 O2 CAS:0-00-0 MolWeight:168 RetIndex:0
CompName:E,E-2,4-hexadienyl butanoate $$
100
71
43

27 41 60
97 168

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
Hit#:3 Entry:140999 Library:WILEY7.LIB
SI:49 Formula:C9 H17 BR O2 CAS:26825-92-3 MolWeight:236 RetIndex:0
CompName:Octanoic acid, 8-bromo-, methyl ester (CAS) METHYL-8-BROMOOCTANOATE $$ Methyl 8-bromooctanoate $$
100
49 79
41
59 125 Br (CH 2 ) 7 C(O) OMe
157
107 135 179 193 210 236
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
<< Target >>
Line#:49 R.Time:20.485(Scan#:3498) MassPeaks:246
RawMode:Averaged 20.480-20.490(3497-3499) BasePeak:78.95(6563)
BG Mode:Calc. from Peak Group 1 - Event 1
100 79

253

137
45
39 154 163 346
86 99 124 191 208 327
59 178 235 280 294 316 357 374 392 405 414
35 429 441 458 477

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:41465 Library:WILEY7.LIB
SI:45 Formula:C8 H8 O3 CAS:0-00-0 MolWeight:152 RetIndex:0
CompName:4-BROMO-5,6-DICHLORO-2-BENZOXAZOLINONE $$ 3,4,5,6-TETRAHYDROPHTHALIC ANHYDRIDE $$
100
79

124
39
65 97 152
33
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:54589 Library:WILEY7.LIB
SI:44 Formula:C9 H11 N O2 CAS:6095-82-5 MolWeight:165 RetIndex:0
CompName:Benzene, 2-isothiocyanato-1,3,5-trimethyl- (CAS) 2-(3,3-DIMETHYL-OXIRAN-2-YL)-PYRIDINE 1-OXIDE $$ Isothiocyanic acid, mesityl ester (CAS) 2,4,6-Trimethylphenyl isothiocya
100
79

43

27 39 58 108 122
92 148 165
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:26952 Library:WILEY7.LIB
SI:44 Formula:C4 H10 O3 S CAS:926-06-7 MolWeight:138 RetIndex:0
CompName:Methanesulfonic acid, 1-methylethyl ester (CAS) 2-PROPYL-METHANESULFONATE $$ Isopropyl mesylate $$ Isopropyl methanesulfonate $$ Isopropyl methanesulphonate $$ Methan
100
43 123
79
15
41 Me SO 2 OPr-i
59
97 126 140
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
<< Target >>
Line#:50 R.Time:28.340(Scan#:5069) MassPeaks:433
RawMode:Averaged 28.335-28.345(5068-5070) BasePeak:206.85(322071)
BG Mode:Calc. from Peak Group 1 - Event 1
100 207
79

211
179
253
137

96 119 285
103 191
41 59 153 163 252 327
35 237 269 299 315 346 355 377 392 405 417 429 445 463 479 491

10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:1 Entry:197536 Library:WILEY7.LIB
SI:52 Formula:C13 H18 O5 S CAS:26225-79-6 MolWeight:286 RetIndex:0
CompName:Tramat $$ 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate, (.+-.)- (CAS) Nortron $$ Nortran $$ NC 8438 $$ Ethofumesate $$ Nortron (new) $$ 5-Benzofuranol, 2
100
15 29 43 161 207
O OEt
79 137
105 179
91 Me SO 2O
65 122 286 Me Me
149 241
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:2 Entry:106097 Library:WILEY7.LIB
SI:52 Formula:C8 H20 O4 SI CAS:78-10-4 MolWeight:208 RetIndex:0
CompName:Silicic acid (H4SiO4), tetraethyl ester (CAS) Tetraethoxysilane $$ TEOS $$ Dynasil A $$ ES 28 (ester) $$ Silicon ethoxide $$ Tetraethoxysilicon $$ Tetraethyl silicate $$ Ethyl orthosilica
100
149 193
79 OEt
163
119 Et O SiOEt
63 179
45 91 107 135
27 Et O
208
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
Hit#:3 Entry:106095 Library:WILEY7.LIB
SI:51 Formula:C8 H20 O4 SI CAS:78-10-4 MolWeight:208 RetIndex:0
CompName:Silicic acid (H4SiO4), tetraethyl ester (CAS) Tetraethoxysilane $$ TEOS $$ Dynasil A $$ ES 28 (ester) $$ Silicon ethoxide $$ Tetraethoxysilicon $$ Tetraethyl silicate $$ Ethyl orthosilica
100
79 149 163 193
OEt
63 119
45 Et O SiOEt
27 91 107 135 179 Et O
207
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490