MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009100
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009100
RECORD_TITLE: ALLYL METHYL 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$NAME: ALLYL METHYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8S
CH$EXACT_MASS: 88.03467
CH$SMILES: C=CCSC
CH$IUPAC: InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
CH$LINK: CAS
10152-76-8
CH$LINK: INCHIKEY
NVLPQIPTCCLBEU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9064976
AC$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: splash10-000j-9000000000-cda664188b696a90957d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
14 1.15 12
15 4.66 47
26 2.77 28
27 13.33 133
35 4.93 49
37 4.27 43
38 10.12 101
39 64.48 645
40 4.91 49
41 56.98 570
42 3.91 39
44 1.65 17
45 80.64 806
46 29.36 294
47 31.02 310
48 5.74 57
49 2.53 25
53 2.84 28
54 1.69 17
55 1.69 17
57 1.25 13
58 2.17 22
59 3.67 37
60 2.54 25
61 21.25 213
69 3.91 39
71 5.88 59
72 5.32 53
73 79.92 799
74 2.99 30
75 3.26 33
85 1.62 16
87 4.03 40
88 99.99 999
89 4.53 45
90 4.75 48
//