ACCESSION: MSBNK-Keio_Univ-KO003492
RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-004i-0009000000-292add600a1d733c3662
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  76.000 39604.0 1
  99.900 24752.5 1
  120.700 44554.5 1
  182.400 44554.5 1
  187.000 84158.5 2
  190.300 64356.5 2
  197.200 400990.5 11
  198.000 524753.0 14
  213.000 64356.5 2
  215.500 148515.0 4
  216.000 74257.5 2
  221.100 79208.0 2
  222.100 79208.0 2
  224.500 14851.5 1
  237.000 39604.0 1
  239.600 247525.0 7
  253.300 935644.5 26
  254.300 831684.0 23
  259.600 29703.0 1
  269.300 688119.5 19
  275.400 153465.5 4
  284.700 39604.0 1
  293.400 242574.5 7
  294.700 34653.5 1
  296.400 138614.0 4
  297.200 103960.5 3
  312.500 1178219.0 32
  329.700 36633700.0 999
//