MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009154
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009154
RECORD_TITLE: PROPANETHIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PROPANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8S
CH$EXACT_MASS: 76.03467
CH$SMILES: CCCS
CH$IUPAC: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
CH$LINK: INCHIKEY
SUVIGLJNEAMWEG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026750
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002g-9000000000-abd8f7bc9c83c0f98d25
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 5.35 54
26 8.34 83
27 58.44 584
28 4.04 40
29 7.96 80
32 1.75 18
33 6.51 65
34 2.45 25
35 7.8 78
37 3.01 30
38 6.72 67
39 38.48 385
40 8.19 82
41 76.74 767
42 83.05 831
43 86.94 869
44 2.61 26
45 31.83 318
46 26.15 262
47 99.99 999
48 11.65 117
49 3.93 39
57 2.5 25
58 7.02 70
59 5.92 59
60 1.09 11
61 11.96 120
69 2.13 21
71 1.36 14
75 1.07 11
76 94.42 944
77 3.41 34
78 3.26 33
//