ACCESSION: MSBNK-Keio_Univ-KO009124
RECORD_TITLE: Levomepromazine; LC-ESI-IT; MS3; m/z: 329/284; [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 0.90/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 329/284
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0006-0090000000-1426c641c03b599528b9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100.1 4.07 8
  106.1 11.14 22
  108.2 6.62 13
  121.1 9.15 18
  123.1 2.00 4
  139.1 3.77 7
  148.0 1.23 2
  152.9 3.92 8
  160.1 1.92 4
  161.0 2.00 4
  204.2 1.92 4
  208.0 1.92 4
  210.1 253.55 494
  211.1 10.38 20
  220.0 2.23 4
  224.2 4.92 10
  227.1 1.92 4
  228.2 2.00 4
  229.0 1.61 3
  236.2 25.91 51
  238.1 40.07 78
  240.1 3.07 6
  242.1 512.52 999
  250.2 8.61 17
  251.2 160.00 312
  253.2 65.50 128
  254.1 3.69 7
  255.1 7.84 15
  267.1 1.38 3
  268.3 10.15 20
  269.2 13.15 26
  282.1 5.84 11
  284.1 28.99 57
//