ACCESSION: MSBNK-Keio_Univ-KO009125
RECORD_TITLE: Levomepromazine; LC-ESI-IT; MS3; m/z: 329/242; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M099
COMMENT: [MS2] KO009123

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 329/242
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-01t9-0090000000-53a0dc12e98294d48c6c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  193.1 4.69 10
  199.0 5.15 11
  209.1 56.72 123
  210.1 382.24 826
  212.1 29.88 65
  213.1 1.77 4
  214.1 4.38 9
  224.1 5.08 11
  226.1 57.19 124
  227.1 462.26 999
  227.9 7.23 16
  242.2 43.18 93
//