ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005766
RECORD_TITLE: ISOTHIPENDYL; 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$NAME: ISOTHIPENDYL
CH$NAME: 10-(2-DIMETHYLAMINO-2-METHYLETHYL)-10H-PYRIDO(3,2-B)(1,4)BENZOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₉N₃S
CH$EXACT_MASS: 285.12997
CH$SMILES: CN(C)C(C)CN(c21)c(n3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
CH$LINK: INCHIKEY OQJBSDFFQWMKBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5048267

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00di-9000000000-fcb41271c0640c5ac2b5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  56 2.19 22
  57 1.14 11
  70 2.15 22
  71 2.14 21
  72 99.99 999
  73 4.67 47
  86 3.47 35
  168 1.86 19
  181 1.37 14
  199 1.57 16
  200 5.5 55
  214 0.21 2
  285 1.15 12
//