Some standard content:
Petroleum and Natural Gas Industry Standard SY 539791 of the People's Republic of China
Biomarker Spectrum
Published on November 20, 1991
Ministry of Energy of the People's Republic of China
Implemented on May 1, 1992
1. Content and Scope of Application
2. Principle
3. Spectrum Production
4. Format of mass spectrum
5. Classification of spectrum
Reference number
Appendix A Mass chromatogram and reconstructed ion chromatogram
Subject content and scope of application
Petroleum and natural gas industry standard of the People's Republic of China Biomarker spectrum
SY 5397-91
This standard provides mass spectra of 548 biomarkers in 9 categories such as alkanes and argons, and 69 mass chromatograms and reconstructed ion chromatograms (RIC) showing their emission order.
This standard is applicable to the chromatography-mass spectrometry (GC-MS) analysis and identification of biomarkers in modern sediments, coal-soluble organic matter and original materials.
2 Principle
The same biological markers, in the same analysis conditions such as ionization pressure, the fragmentation mode and the mass spectra formed are similar and comparable in various mass spectrometers; and the mixture of various biological markers, under the same capillary stationary phase, even if the other chromatographic analysis conditions are different, the elution order will remain unchanged:
3 Spectrum preparation
3.1 Samples
More than 100 samples were screened from all major sedimentary basins in the world. Typical crude oil, raw oil and coal samples were prepared for analysis and identification; and spectra were obtained.
3.2 Instruments
Chromatography-mass spectrometry: 4021 GC-MS
3.3 Analysis conditions
Capillary column: SE-54:
Column initial temperature: 100°C;
Final temperature: 300°C;
Program temperature rate: 2°C/min:
Ion source: EI:
Ionization energy: 70eV;
Ionization current: 300uA:
Scan rate: 2%/50～600u:
Resolution: u in the whole mass range
3.4 Confirmation basis
3.4.1 Confirmed by comparing with the mass spectrum of the standard sample after co-injection of the standard sample, the mass spectrum subscript is A3.4.2
and the spectrum in the NBS (National Bureau of Standards) library are compared and confirmed. The subscript of the figure is B, 3.4.3 is compared with the spectrum published in the literature, and the subscript of the mass spectrum is (3.4.4 is confirmed according to the interpretation of the spectrum, and the subscript of the mass spectrum is D4 mass spectrum format
The chemical structure is attached to the figure: If the body chemistry is determined, it is also indicated. 4.2
The following code is attached below the figure:
Approved by the Ministry of Energy of the People's Republic of China on November 20, 1991 and implemented on May 1, 1992
SY 5397-91
Spectrum number;
Gradually recorded A (supplement) "Mass chromatogram and peak number of Liu Ying: Compound name:
d, relative mass:
e. Formula;
f base peak;
…: confirmation basis and source of reference spectrum. 5 Spectrum classification
5.1 Chain alkanes
5.1.1 Normal alkanes
Depositional environment, maturity, oil source comparison, migration indicators. The main fracture mode is homolysis. The base peak is state/257, and as the mass number increases, the ion The intensity decreases exponentially, forming a flat-smooth line. 26 mass spectra (Figures 1 to 26). 5.1.2 Branched alkanes
Organic matter source indicators. The fracture mode and mass spectrum base peak alternate with normal alkanes, and the presence of 2-indole or 3-H base leads to an increase in (M-43)+ or (M-29)-intensity: 28 mass spectra (Figures 27 to 54). 5.1.3 Isoprenoid alkanes
Sedimentary environment, oil source comparison, maturity indicators. The fracture mode and base peak are the same as normal alkanes: because of the presence of methyl branch points of varying numbers and regularity, the relative abundance of these fragment ions increases. 28 mass spectra (Figures 55 to 82). 5.2 Monocyclic hydrocarbons
5.2.1 Normal-alkyl cyclohexane
The base peak is m/=83, and the main fracture mode is shown in the figure below. 18 mass spectra (Figures 83-100). 5.2.2 Methyl-n-alkylcyclohexane
The peak is m/=97, and the main fragmentation mode is shown in the figure below. 29 mass spectra (Figures 101-129). 5.2.3 Carotenoids
The main characteristic fragments are m/269 and m/=125. The fragmentation mode is shown in the figure below. 25 mass spectra (Figures 130-154). 5.2.4 Methyl alkylbenzene
SY 5397.91
The main characteristic fragment is m/2z106 (or m/z105), and the fragmentation mode is shown in the figure below. 9 mass spectra (Figures 155-163). 10 items
5.3 Bicycloalkanes
5.3.1 Bicyclosesquialkanes
Sourcing characteristics and original biodegradation indexes. "1 The main characteristic fragment ion is m/=123, and the fragmentation mode is shown in the figure below. 9 mass spectra (Figures 164-172).
5.3.2 Long side chain 88 (H)-pyramidal compounds (C+ bicyclosesquialkanes) The main fragmentation mode is similar to that of cyclosesquialkanes. 5 mass spectra (Figures 173-177). 5.4 Class II hydrocarbons
5.4.1 Tricyclic bicyclosesquialkanes
Signs of terrestrial plant input, characteristic fragment ions are m/=109, 123, 163, 233, etc., and the fragmentation mode (taking 19-norisomarane as an example) is shown in the figure below. 9 mass spectra (Figures 178-186). 23
123 -C.Hs
5.4.2 Four-ring two-ring
The sign of higher plant input. The main characteristic fragment ion is m/=123, and the fragmentation mode is shown in the figure below. 5 mass spectra (Figures 187~191).
5.5 Tricyclic mushrooms
5.5.1 Tricyclic alkanes
Migration and oil source comparison indicators. The main characteristic ion is m/≥191, and the fragmentation mode is shown in the figure below: 37 mass spectra (Figures 192~228).
5.5.2 Demethyl tricyclic alkane
SY 5397-91
Mostly found in biodegradable crude oil. The main characteristic ion is m, z177. The fracture force is shown in the figure below. There are 8 mass spectra (Figures 229~236).
5.6 Pentacyclic triazolane
5.6.1 Hopane series
Oil source comparison, maturity, parent source input, sedimentary environment indicators. The main characteristic ion is 7/219, and the fracture mode is shown in the figure below. There are 35 mass spectra (Figures 237~271). 369
5.6.225-Hydroxane
Multiple Found in biodegradation pools. The main characteristic ion is m/=177, and the fragmentation mode is shown in the figure below. 14 mass spectra (Figures 272~285).
5.6.38, 14-fragmentane (including formononetane) 8, 14-fragmentane is a biodegradation and thermal degradation product of the hopane series, and formononetane is a sign of terrestrial organic matter input. The main characteristic ion of both is m/2123, the difference is that the former has n/=231, and the latter. The fragmentation mode is shown in the figure below. 25 spectra (Figures 286~310)
H. 14 - Broken alkane
Lupetalum root
SY 5397. 91
5.6.4 Benzoalkane
Deposition environment indicator. The main characteristic ion is m/2191, the fragmentation mode is shown in the figure below, 5 mass spectra (Figures 311-315). 5.6.5 Olefin
Precursor of oleanane, maturity indicator. The main characteristic ion is m/2191, 367, etc., the fragmentation mode is shown in the figure below. 6 mass spectra (Figures 316-321)
5.6.6 Lupane
Higher plant input marker. The main characteristic ion is m/=191, the fragmentation mode is as shown in the figure below. 2 mass spectra (Figures 322-323).
5.6.7 Ichthyol
Characteristic ions are m/=190, 259, etc. The fragmentation pattern is shown in the figure below. There are 4 mass spectra (Figures 324-327). 0
5.7 Flutes
5.7.1 Androstane
Maturity and migration indicators. (M-15) or M+ is the characteristic ion. There are 4 mass spectra (Figures 328-331). 5.7.2226Fluorane
SY 539791
High-salinity sedimentary environment, maturity, crude oil biodegradation and migration indicators. The main characteristic ion is m/2217 or m/=218, and the fracture mode is shown in the figure below. There are 14 mass spectra (Figures 332-345). R -CH, -C,H1
217 or 218
5.7.3C26~Cu regular styrene
Maturity, oil source comparison, migration, parent material source and sedimentary environment indicators. The main characteristic ion is m/=217 or m/z218: m/z149 or m/z151, and the fracture mode is shown in the figure below. 21 mass spectra (Figures 346-366); 14915
5.7.4 rearranged stananewww.bzxz.net
217 or 218
depositional environment, maturity, crude oil biodegradation and migration indicators. The main characteristic ions are m/217, 189, 232, 259, and the fragmentation mode is shown in the figure below. 18 mass spectra (Figures 367-384). 259
5.7.5 Flutene
5.7.5., Flute-2-ene
The intermediate of trapane formed by sterol is found in modern sediments. The main characteristic ions are M, (M-54) and m/z215. The fragmentation mode is shown in the figure below. There are 3 mass spectra (Figures 385-387) M54
5.7.5.2 Rearranged Flutene
SY 5397-91
Depositional environment and maturity indicators. The main characteristic ion is m/2257. The fragmentation mode is shown in the figure below. There are 3 mass spectra (Figures 388-390)
5.7.6 Degradation products of pyroxene
5.7.6.1 Bicycloalkanes
The structure and mass spectrum fragmentation mode are shown in the figure below. 5 mass spectra (Figures 391-395) 24
5.7.6.2 Tricycloalkanes
Structure and mass spectrum fragmentation are shown in the following figure. 3 mass spectra (Figures 396-398) 2ty
5.7.7 4-Methylstanane
Ten main characteristics of parent material source, sedimentary environment, maturity and oil source comparison index are m/z231 or m/z232; m/z163 or mz165, and the fragmentation is shown in the following figure, 163 or 165
5.7.7.1 19 mass spectra of biological configuration 4-methylmelane and dinoflagellate (Figures 399-417).
5.7.7.2 14 mass spectra of geological configuration 4-methylstanane
(Figures 418-431).
5.7.8 Aromatic hydrocarbons
Depositional environment, maturity, and migration indicators. 5.7.8.1C-ring monoaromatic steroid hydrocarbons
SY 5397-91
The main characteristic ion is m/z 253, and the fragmentation mode is shown in the figure below. Mass spectra 21 (Figures 432-452). 255
5.7.8.2 Triaromatic hydrocarbons
The main characteristic ion is m/z = 231, and the fragmentation mode is shown in the figure below. Mass spectra 7 (Figures 453-459) 23
5.7.8.3 Methyl triaromatic steroid hydrocarbons
The fragmentation mode is the same as that of triaromatic hydrocarbons, mainly the homolytic cleavage of the single bond between C-17 and C-20, and this characteristic ion is m/z 245. Mass spectra 9 (Figures 460-468). 5.7.8.4 m/ 2259 series tricyclic hydrocarbons mass spectra 7 (Figures 469-475).
5.8 Polycyclic aromatic hydrocarbons
5.8.1 Alkyl naphthalene
The main characteristic ions are M+ or (M-15), (M-29)+. Mass spectra 20 (Figures 476-495). 5.8.2 Alkyl phenanthrene
The main characteristic ions are M+ mass spectra 19 (Figures 496-514), 5.8.3 Alkyl lychee
The characteristic ions are M or (M-15). Mass spectra 6 (Figures 515-520). 5.8.4: Alkyl biphenyl
The characteristic ions are M*, (M-15)*. Mass spectra 5 (Figures 521-525). 5.8.5 Other polycyclic aromatic hydrocarbons
12 mass spectra (Figures 526-537).
Alkyl dibenzothiophene
11 mass spectra (Figures 538-548).
SY 539791
Base peak m/z57, B
Relative molecular mass 170, CH product
Peak number, n-dodecane,
Peak number 2, n-decane, relative molecular mass 184, C11, base peak m/z57, B200
SY 5397--91
Base peak m/z57, B
Relative molecular mass 198,
Peak number 3, n-hexadecane,
rpr2prp 0
Peak number 4, n-decane, relative molecular mass 212, C1,H2, base peak m/z57, B5 Other polycyclic aromatic hydrocarbons
12 mass spectra (Figures 526-537).
alkyldibenzothiophene
11 mass spectra (Figures 538-548).
SY 539791
Base peak m/z57, B
Relative molecular mass 170, CH product
Peak number, n-dodecane,
Peak number 2, n-decane, relative molecular mass 184, C11, base peak m/z57, B200
SY 5397--91
Base peak m/z57, B
Relative molecular mass 198,
Peak number 3, n-hexadecane,
rpr2prp 0
Peak number 4, n-decane, relative molecular mass 212, C1,H2, base peak m/z57, B5 Other polycyclic aromatic hydrocarbons
12 mass spectra (Figures 526-537).
alkyldibenzothiophene
11 mass spectra (Figures 538-548).
SY 539791
Base peak m/z57, B
Relative molecular mass 170, CH product
Peak number, n-dodecane,
Peak number 2, n-decane, relative molecular mass 184, C11, base peak m/z57, B200
SY 5397--91
Base peak m/z57, B
Relative molecular mass 198,
Peak number 3, n-hexadecane,
rpr2prp 0
Peak number 4, n-decane, relative molecular mass 212, C1,H2, base peak m/z57, B
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