MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002150
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002150
RECORD_TITLE: DIPHENYLDISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLDISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10S2
CH$EXACT_MASS: 218.02239
CH$SMILES: c(c2)ccc(c2)SSc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY
GUUVPOWQJOLRAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022131
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-066r-4930000000-114dfaf5f4b91fdb223f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55 12.6 126
57 7.1 71
65 62.1 621
66 1.12 11
69 16.5 165
77 18.2 182
78 5.7 57
108 0.97 10
109 99.99 999
110 23.3 233
111 6.5 65
140 0.77 8
141 7.1 71
154 33.1 331
155 5.8 58
184 1.35 14
185 31.2 312
186 20.4 204
218 75.5 755
219 0.97 10
220 7 70
//