Scribd Logo
Upload

Welcome to Scribd!

  • 191 views

    Fragments

    Uploaded by

    handerson_chris
    The document discusses fragments detected in naphthenic acids using quadrupole mass spectrometry (QMS) data. It notes that a wide range of molecules and carboxylic fragments are present, making it impossible to determine exact ions for some molecular weights. Most detected species match compounds expected in naphthenic acids. Suggested fragments seen in the data are summarized in a table, with sulfur-containing molecules highlighted. The table lists over 100 fragment ions and their proposed identities ranging from single atoms to larger molecules.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as DOC, PDF, TXT or read online from Scribd

    Fragments

    Uploaded by

    handerson_chris
    191 views4 pages
    The document discusses fragments detected in naphthenic acids using quadrupole mass spectrometry (QMS) data. It notes that a wide range of molecules and carboxylic fragments are present, making it impossible to determine exact ions for some molecular weights. Most detected species match compounds expected in naphthenic acids. Suggested fragments seen in the data are summarized in a table, with sulfur-containing molecules highlighted. The table lists over 100 fragment ions and their proposed identities ranging from single atoms to larger molecules.

    Copyright

    © Attribution Non-Commercial (BY-NC)

    Available Formats

    DOC, PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    The document discusses fragments detected in naphthenic acids using quadrupole mass spectrometry (QMS) data. It notes that a wide range of molecules and carboxylic fragments are present, making it impossible to determine exact ions for some molecular weights. Most detected species match compounds expected in naphthenic acids. Suggested fragments seen in the data are summarized in a table, with sulfur-containing molecules highlighted. The table lists over 100 fragment ions and their proposed identities ranging from single atoms to larger molecules.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as DOC, PDF, TXT or read online from Scribd
    Download as doc, pdf, or txt
    191 views4 pages

    Fragments

    Uploaded by

    handerson_chris
    The document discusses fragments detected in naphthenic acids using quadrupole mass spectrometry (QMS) data. It notes that a wide range of molecules and carboxylic fragments are present, making it impossible to determine exact ions for some molecular weights. Most detected species match compounds expected in naphthenic acids. Suggested fragments seen in the data are summarized in a table, with sulfur-containing molecules highlighted. The table lists over 100 fragment ions and their proposed identities ranging from single atoms to larger molecules.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as DOC, PDF, TXT or read online from Scribd
    Download as doc, pdf, or txt
    of 4

    The term naphthenic acid, as commonly used in the petroleum industry, refers

    collectively to all of the carboxylic acids present in crude oil. Commercial naphthenic

    acids contain varying amounts of sulfur compounds and water. Due to the presence of

    a wide range of molecules and carboxylic fragments in the QMS data, it is impossible

    to determine the exact ions collected for some of the molecular weights that could

    correspond to different compounds or compounds of different chemical structure that

    share the same chemical formula and hence the same molecular mass.

    Most of the detected species are matched with chemical compounds that are

    expected to be present in naphthenic acids. However, fragments from broken bonds

    upon heating the naphthenic acids are also expected to be seen in the QMS data. The

    suggested fragments are summarized in the table below and the postulated sulfur-

    containing molecules are highlighted in red.

    Fragment ion mass (amu) Fragment Name

    2 H2 Hydrogen

    3 H3 Triatomic hydrogen

    12 C Carbon

    13 CH  

    14 CH2 Methylene

    15 CH3 Methyl group

    CH4 Methane
    16
    O Oxygen

    17 OH Hydroxide

    18 H2O Water

    19 H3O Hydronium

    20 CH2H6  
    21 CH3H6  

    26 C2H2 Acetylene

    27 C2H3 Vinyl

    CO Carbon monoxide
    28
    C2H4 Ethylene

    29 C2H5 Ethyl functional group

    C2H6 Ethane
    30 Estradiol benzoate /
    CH2O
    Formaldehyde
    31 CH3O Methoxy

    O2 Oxygen

    32 CH4O Methanol

    C2H8  

    36 H4O2  

    37 CH9O  

    38 CH10O  

    39 C2H15  

    40 C2H16  

    C2OH  
    41
    C3H5 c-propyl

    42 C3H6 Propene / Cyclopropane

    43 C3H7 Propyl

    CO2 Carbon Dioxide

    44 C3H8 Propane

    C2H4O Acetaldehyde / Ethenol

    45 CO2H  

    CH2S Thioformaldehyde

    C2H6O Ethanol

    46 CH3OCH3 Dimethyl ether

    C3H10 Isobutane

    CH2O2 Formic acid

    CH6O2  
    50
    C2H10O  

    51 CH7O2  

    52 CH8O2  
    53 CH9O2  

    54 C2H14O  

    55 C2H15O  

    56 C2O2 Ethylene dione

    C2HO2  
    57
    C4H9 Butyl

    C2H2O2 Acetolactone / Glyoxal

    C2H2S Thiirene

    58 C3H5OH Glycerol

    C4H10 Butane

    C3H6O Acetone

    S2 Diatomic sulfur

    64 SO2 sulfur dioxide

    CH4O3 Orthoformic acid

    65 HSO2  

    H2SO2 Hyposulfurous acid


    66
    C2H10O2  

    H3SO2  
    67
    C5H7 Pentadienyl

    68 C4H4O Furan

    69 C4H5O  

    C5H10 Cyclopentane
    70
    C4H6O Crotonaldehyde / Dihydrofuran

    71 C4H7O  

    C3H4O2 Acrylic acid

    C4H8O Tetrahydrofuran / Butanone


    72
    C2OS  

    C5H12 Isopentane / Neopentane

    C6H5 Phenyl ring


    77
    CHSO2  

    CH2S2 Dithioformic acid

    78 C2H6SO Dimethylsulfoxide

    C6H6 Benzene

    79 CH7SO  
    SO3 Sulfur trioxide
    80
    C6H8 1,3-Cyclohexadiene

    HSO3 Bisulfite
    81
    C6H9  

    82 H2SO3 Sulfurous acid

    83 C4H3O2  

    C4H4S Thiophene
    Cycloprop-2-ene carboxylic
    84 C4H4O2
    acid / Diketene
    Cyclohexane /
    C6H12
    Methylcyclopentane
    85 C4H5O2  

    C4H6O2 Mthacrylic acid / Vinyl acetate

    86 C6H14 Hexane

    C5H10O Cyclopentanol / Isoprenol

    C2H3S2  
    91
    C6H5CH2 Benzyl

    92 C2H4S2 Dithietane

    93 C2H5S2  

    S3 Sulfur clusters

    96 CH4O3S Methanesulfonic acid

    C5H4O2 Furfural / Pyrones

    97 C5H5O2 Furan-2-carboxylic acid

    You might also like