MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008172
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008172
RECORD_TITLE: 9H-THIOXANTHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 9H-THIOXANTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10S
CH$EXACT_MASS: 198.05032
CH$SMILES: c(c3)cc(C1)c(c3)Sc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
CH$LINK: CAS
261-31-4
CH$LINK: INCHIKEY
PQJUJGAVDBINPI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20180732
AC$INSTRUMENT: HITACHI M-80
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: splash10-0002-0900000000-cf046d3bcf84017b5311
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
39 2.1 21
45 1.22 12
50 0.91 9
51 0.95 10
63 2.38 24
69 2.3 23
89 1.05 11
121 1.03 10
139 1.47 15
151 1.08 11
152 5.08 51
153 2.55 26
163 2.56 26
164 1.74 17
165 17.14 171
166 2.53 25
171 3.3 33
195 3.51 35
196 1.54 15
197 90.1 901
198 99.99 999
199 19.47 195
200 5.96 60
201 0.77 8
//