ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002767
RECORD_TITLE: METHOTRIMEPRAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHOTRIMEPRAZINE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9111000000-0b0b7dd5884277a804aa
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  42 4.9 49
  58 99.99 999
  100 7.9 79
  135 0.49 5
  166 0.9 9
  167 0.9 9
  185 2.9 29
  198 0.19 2
  199 0.9 9
  210 2.9 29
  227 0.9 9
  228 0.39 4
  229 3.9 39
  233 1.9 19
  242 3.9 39
  243 0.19 2
  268 1.9 19
  282 2.9 29
  283 2.9 29
  328 13.9 139
//