MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008753
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008753
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL METHYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12S
CH$EXACT_MASS: 104.06597
CH$SMILES: CC(C)CSC
CH$IUPAC: InChI=1S/C5H12S/c1-5(2)4-6-3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
UYVGFIKOUAFDOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40294603
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$SPLASH: splash10-08fr-9100000000-a03106d837acefb88ab5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 4.75 48
27 18.17 182
28 2.3 23
29 15.01 150
35 6.39 64
38 1.85 19
39 22.06 221
40 2.32 23
41 43.43 434
42 2.28 23
43 9.91 99
45 16.85 169
46 11.27 113
47 18.51 185
48 4.37 44
49 4.36 44
53 1.84 18
55 8.68 87
56 45.62 456
57 23.39 234
58 1.43 14
59 2.14 21
61 99.99 999
62 21.1 211
63 5.27 53
71 1.4 14
73 1.55 16
75 6.75 68
89 4.57 46
104 46.96 470
105 2.95 30
106 1.71 17
//