ACCESSION: MSBNK-Keio_Univ-KO003496
RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M099

CH$NAME: Methotrimeprazine
CH$NAME: Levomepromazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄N₂OS
CH$EXACT_MASS: 328.16093
CH$SMILES: CN(C)CC([H])(C)CN(c21)c(c3)c(ccc(OC)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
CH$LINK: CAS 60-99-1
CH$LINK: KEGG C07192
CH$LINK: NIKKAJI J76.892H
CH$LINK: PUBCHEM SID:9401
CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N
CH$LINK: COMPTOX DTXSID1023289

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 329
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9410000000-0d1f6734452bedc68d3f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  58.300 3143567.5 999
  70.900 44554.5 14
  73.100 356436.0 113
  74.000 34653.5 11
  84.600 49505.0 16
  100.200 1400991.5 445
  121.300 217822.0 69
  122.400 54455.5 17
  154.000 19802.0 6
  167.000 29703.0 9
  195.400 34653.5 11
  199.300 74257.5 24
  210.200 222772.5 71
  210.500 64356.5 20
  214.300 69307.0 22
  227.500 108911.0 35
  229.500 34653.5 11
  242.000 19802.0 6
//