ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005781
RECORD_TITLE: METHOTRIMEPRAZINE; CI-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$NAME: METHOTRIMEPRAZINE
CH$NAME: 10-(3-DIMETHYLAMINO-2-METHYLPROPYL)-2-METHOXYPHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄N₂OS
CH$EXACT_MASS: 328.16093
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(OC)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50859045

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-004i-1009000000-2fa210a3a88f6c165ea6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  58 17.34 173
  60 1.21 12
  72 1.49 15
  74 1.22 12
  84 1.49 15
  86 2.14 21
  100 11.36 114
  109 1.14 11
  229 2.72 27
  230 4.14 41
  242 2.12 21
  244 2.01 20
  269 1.56 16
  270 2.81 28
  272 1.42 14
  283 1.11 11
  284 1.48 15
  299 2.22 22
  327 9.93 99
  328 55.59 556
  329 99.99 999
  330 25.87 259
  331 10.23 102
  357 9.62 96
  358 2.43 24
  359 1.09 11
//