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MassBank Record: KO003495

Levomepromazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003495
RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0zfr-6920000000-dc5968beb0d112813d55
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  56.400 24752.5 4
  58.200 3688122.5 669
  73.100 326733.0 59
  74.000 59406.0 11
  76.300 24752.5 4
  84.800 34653.5 6
  92.100 24752.5 4
  98.900 34653.5 6
  100.000 5504956.0 999
  105.200 103960.5 19
  106.800 9901.0 2
  113.100 29703.0 5
  120.900 371287.5 67
  122.100 94059.5 17
  129.000 14851.5 3
  130.900 24752.5 4
  136.300 24752.5 4
  151.000 19802.0 4
  208.000 74257.5 13
  209.000 64356.5 12
  210.000 351485.5 64
  221.300 64356.5 12
  222.400 168317.0 31
  223.900 14851.5 3
  226.200 14851.5 3
  227.000 287129.0 52
  228.400 19802.0 4
  229.400 183168.5 33
  242.300 514852.0 93
  244.900 19802.0 4
  253.300 84158.5 15
  284.600 59406.0 11
//

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