MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009115
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009115
RECORD_TITLE: DIISOBUTYL DISULFIDE; 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$NAME: DIISOBUTYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S2
CH$EXACT_MASS: 178.08499
CH$SMILES: CC(C)CSSCC(C)C
CH$IUPAC: InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: CAS
1518-72-5
CH$LINK: INCHIKEY
ONJROLGQWMBXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00164873
AC$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: splash10-0a6r-9100000000-2d7fb1cacca5ff24bbda
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 10.97 110
29 27.31 273
39 10.81 108
40 1.12 11
41 38.42 384
42 1.8 18
43 8.66 87
45 6.1 61
46 3.01 30
47 2.96 30
53 1.48 15
55 6.56 66
56 1.64 16
57 99.99 999
58 4.27 43
59 1.14 11
73 1.25 13
79 2.03 20
87 4.67 47
88 1.85 19
122 9.18 92
178 17.39 174
179 1.52 15
180 1.56 16
//