MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008217
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008217
RECORD_TITLE: BENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: BENZOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5NS
CH$EXACT_MASS: 135.01427
CH$SMILES: c(c2)cc(n1)c(c2)sc1
CH$IUPAC: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
CH$LINK: INCHIKEY
IOJUPLGTWVMSFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7024586
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-2900000000-ac6acb266d8c21f1c542
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
45 2.99 30
63 2.99 30
69 15.22 152
82 8.36 84
91 6.27 63
108 29.55 296
109 3.28 33
135 99.99 999
136 8.66 87
137 3.28 33
//