ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001421
RECORD_TITLE: 2-PHENY1PYRROLO(2,1-B)BENZOTHIAZOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-PHENY1PYRROLO(2,1-B)BENZOTHIAZOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H11NS
CH$EXACT_MASS: 249.06122
CH$SMILES: c(c4)ccc(c4)c(c1)cn(c32)c1Sc(cccc3)2
CH$IUPAC: InChI=1S/C16H11NS/c1-2-6-12(7-3-1)13-10-16-17(11-13)14-8-4-5-9-15(14)18-16/h1-11H
CH$LINK: INCHIKEY XMWBLLRPZGAGCI-UHFFFAOYSA-N
AC$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: splash10-0002-0090000000-c5269b8aed75e8c2f567
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  115 1.5 15
  204 1.2 12
  216 1.4 14
  217 0.22 2
  247 2.5 25
  248 8 80
  249 99.99 999
  250 1.91 19
  251 6 60
//
