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MassBank Record: KO003494

Levomepromazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003494
RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0udi-2920000000-f73fff6b08acc61ea5b7
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  38.700 39604.0 4
  58.100 2079210.0 233
  72.900 113861.5 13
  73.800 19802.0 2
  80.900 49505.0 6
  85.200 29703.0 3
  100.200 8910900.0 999
  105.200 346535.0 39
  121.300 623763.0 70
  122.200 193069.5 22
  131.400 34653.5 4
  149.700 29703.0 3
  151.400 39604.0 4
  151.900 14851.5 2
  157.500 19802.0 2
  158.900 14851.5 2
  175.900 14851.5 2
  179.200 29703.0 3
  187.300 39604.0 4
  197.000 39604.0 4
  198.100 89109.0 10
  199.100 44554.5 5
  207.500 64356.5 7
  208.100 118812.0 13
  210.000 108911.0 12
  210.600 39604.0 4
  212.000 19802.0 2
  215.200 29703.0 3
  216.700 14851.5 2
  219.300 19802.0 2
  221.100 173267.5 19
  222.300 430693.5 48
  226.800 89109.0 10
  229.200 247525.0 28
  240.200 64356.5 7
  242.200 1009902.0 113
  251.400 64356.5 7
  253.200 39604.0 4
  284.500 222772.5 25
  314.200 14851.5 2
  329.700 589109.5 66
//

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