MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008752
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008752
RECORD_TITLE: METHYL PROPYL SULFIDE; 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$NAME: METHYL PROPYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10S
CH$EXACT_MASS: 90.05032
CH$SMILES: CCCSC
CH$IUPAC: InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY
ZOASGOXWEHUTKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9073969
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$SPLASH: splash10-01ow-9000000000-a40c801d9aee15105a44
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 5.05 51
26 2.7 27
27 28.81 288
29 2.35 24
35 11.24 112
37 1.31 13
38 2.36 24
39 21.23 212
40 2.52 25
41 34.99 350
42 9.6 96
43 18.08 181
45 25.11 251
46 11.98 120
47 23.27 233
48 40.89 409
49 18.77 188
50 1.71 17
58 2.44 24
59 3.02 30
61 99.99 999
62 4.13 41
63 3.85 39
75 9.77 98
90 45.43 454
91 1.97 20
92 1.83 18
//