MassBank Record: MSBNK-Keio_Univ-KO003493
ACCESSION: MSBNK-Keio_Univ-KO003493
RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 329
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0319000000-9bcdb870e16f29c42cc7
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
58.300 74257.5 4
76.300 29703.0 2
98.800 39604.0 2
100.200 4089113.0 244
105.100 222772.5 13
112.800 19802.0 1
121.000 549505.5 33
122.300 128713.0 8
149.300 49505.0 3
151.800 29703.0 2
165.600 19802.0 1
175.200 69307.0 4
176.300 24752.5 1
179.500 14851.5 1
180.900 9901.0 1
187.000 267327.0 16
190.100 89109.0 5
191.400 14851.5 1
197.300 158416.0 9
198.200 336634.0 20
201.000 19802.0 1
203.300 24752.5 1
207.100 59406.0 4
208.200 108911.0 7
211.700 9901.0 1
213.000 39604.0 2
215.400 113861.5 7
220.100 24752.5 1
221.400 366337.0 22
222.300 554456.0 33
225.800 44554.5 3
235.200 74257.5 4
239.400 103960.5 6
240.100 113861.5 7
242.200 311881.5 19
253.200 242574.5 15
254.400 193069.5 12
267.400 19802.0 1
275.400 74257.5 4
284.500 193069.5 12
293.600 84158.5 5
294.000 14851.5 1
295.500 24752.5 1
296.200 39604.0 2
311.300 34653.5 2
329.700 16707937.5 999
//