ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005767
RECORD_TITLE: METHOTRIMEPRAZINE; 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$NAME: METHOTRIMEPRAZINE
CH$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: 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$SPLASH: splash10-0a6r-9374000000-e8486ccc5e112d40aba2
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  57 1.93 19
  58 99.99 999
  59 7.42 74
  69 1.34 13
  70 1.49 15
  71 1.7 17
  77 1.14 11
  84 6.22 62
  85 2.01 20
  86 2.76 28
  98 1.05 11
  99 2.73 27
  100 22.2 222
  101 1.88 19
  140 1.42 14
  141 1.35 14
  153 1.05 11
  154 1.08 11
  166 1.4 14
  167 3.94 39
  171 1.1 11
  184 1.55 16
  185 10.87 109
  186 3.64 36
  198 2.43 24
  199 2.7 27
  209 1.36 14
  210 7.39 74
  211 1.88 19
  214 1.35 14
  223 1.04 10
  224 0.11 1
  226 1.5 15
  227 2.47 25
  228 11.98 120
  229 12.78 128
  230 2.61 26
  240 1.28 13
  242 10.28 103
  243 5.49 55
  244 1.39 14
  253 1.08 11
  254 1.95 20
  268 5.97 60
  269 8.81 88
  270 4.64 46
  271 1.11 11
  282 7.85 79
  283 9.1 91
  284 2.16 22
  328 48.73 487
  329 11.97 120
  330 1.1 11
//