MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008547
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008547
RECORD_TITLE: DI-SEC-BUTYL 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$NAME: DI-SEC-BUTYL DISULFIDE
CH$NAME: DI-SEC-BUTYL DISULFANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S2
CH$EXACT_MASS: 178.08499
CH$SMILES: CCC(C)SSC(C)CC
CH$IUPAC: InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
QTWKINKGAHTPFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044698
AC$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-9200000000-433b24eb442935834bae
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 8.93 89
28 1.83 18
29 31.33 313
39 7.59 76
41 28.83 288
42 1.09 11
45 2.76 28
47 1.2 12
53 1.41 14
55 5.59 56
56 4.27 43
57 99.99 999
58 4.02 40
59 5.33 53
60 1.73 17
61 2.57 26
64 1.01 10
66 1.51 15
88 1.25 13
93 1.66 17
122 28.57 286
123 1.54 15
124 2.31 23
178 19.76 198
179 1.79 18
180 1.59 16
//
system version 2.2.6-SNAPSHOT