MassBank Record: MSBNK-Waters-WA002146
ACCESSION: MSBNK-Waters-WA002146
RECORD_TITLE: Trimetazidine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Trimetazidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22N2O3
CH$EXACT_MASS: 266.16304
CH$SMILES: COc(c2)c(OC)c(OC)c(c2)CN(C1)CCNC1
CH$IUPAC: InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
CH$LINK: CAS
5011-34-7
CH$LINK: INCHIKEY
UHWVSEOVJBQKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2048531
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 2.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-132037f7cabbd382a5b4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
105 24 24
106 47 47
107 16 16
108 35 35
109 27 27
119 16 16
121 63 63
123 67 67
135 63 63
136 349 349
137 35 35
151 102 102
153 12 12
165 31 31
166 999 999
167 71 71
181 161 161
182 12 12
//
system version 2.2.8-SNAPSHOT