MassBank Record: MSBNK-Keio_Univ-KO009123
ACCESSION: MSBNK-Keio_Univ-KO009123
RECORD_TITLE: Levomepromazine; LC-ESI-IT; MS2; m/z: 329; [M+H]+
DATE: 2011.05.10 (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
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 MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90
MS$FOCUSED_ION: PRECURSOR_M/Z 329
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0udi-0910000000-10fe32fa41981fcda652
PK$ANNOTATION: m/z struct. num formula mass
100.1 1 1 C6H14N 100.11262
242.1 1 1 C14H12NOS 242.06396
284.2 1 1 C17H18NOS 284.11091
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
100.1 698884.77 999
101.0 372.89 1
103.2 278.63 1
106.2 116.71 1
115.7 391.54 1
121.0 151.53 1
131.1 131.36 1
135.9 182.53 1
139.1 177.78 1
144.1 64.08 1
149.2 90.53 1
152.9 45.50 1
161.1 70.28 1
167.1 96.45 1
199.0 80.73 1
209.0 345.25 1
210.1 5064.30 7
211.1 407.77 1
212.1 238.51 1
224.1 194.60 1
227.0 1013.55 1
228.1 82.63 1
229.0 3120.56 4
229.9 318.96 1
236.1 124.43 1
238.1 166.86 1
240.9 63.68 1
242.1 49366.56 71
242.9 114.08 1
244.1 2495.47 4
250.1 400.69 1
251.1 6446.95 9
252.1 109.18 1
253.2 1578.51 2
262.1 230.64 1
266.1 73.18 1
267.2 100.08 1
268.1 45.25 1
269.1 279.82 1
270.1 62.60 1
277.6 456.77 1
282.1 362.37 1
283.2 202.49 1
284.2 61901.29 88
285.6 652.72 1
292.6 74.83 1
293.7 366.96 1
297.9 144.88 1
306.2 63.75 1
314.2 630.30 1
320.2 124.90 1
329.2 10521.06 15
346.0 155.73 1
350.4 144.19 1
352.0 34.05 1
359.1 23.73 1
362.2 268.62 1
363.0 22.80 1
369.1 328.06 1
//