MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002145
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002145
RECORD_TITLE: DIBENZOTHIOPHENE; 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$NAME: DIBENZOTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H8S
CH$EXACT_MASS: 184.03467
CH$SMILES: c(c3)cc(s1)c(c3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
CH$LINK: INCHIKEY
IYYZUPMFVPLQIF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047741
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$SPLASH: splash10-001i-1900000000-2b4678815c405c7d2ef4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
44 3.9 39
63 3.2 32
79 8.2 82
91 0.45 5
92 12.5 125
138 3.5 35
139 15.4 154
140 0.39 4
152 11.4 114
182 3.5 35
183 5.8 58
184 99.99 999
185 17.5 175
186 8.3 83
//