MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009589
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009589
RECORD_TITLE: DIBENZOTHIOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-001i-1900000000-340859bcf04890563bce
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
63 1.76 18
69 2.02 20
74 1.37 14
75 1.37 14
79 5.23 52
87 1.21 12
89 1.22 12
91 2.2 22
92 8.74 87
113 1.7 17
114 1.35 14
115 1.15 12
138 1.87 19
139 14.34 143
140 2.44 24
150 1.12 11
151 1.82 18
152 7.89 79
153 1.16 12
158 1.78 18
182 2.21 22
183 4.76 48
184 99.99 999
185 16.14 161
186 6.15 62
//