MassBank Record: MSBNK-Waters-WA002144
ACCESSION: MSBNK-Waters-WA002144
RECORD_TITLE: Trimetazidine; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0abi-0900000000-b9f5c2f68ac415368ea6
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
103 12 12
105 999 999
106 364 364
107 325 325
108 47 47
109 114 114
111 24 24
118 294 294
119 39 39
121 854 854
122 102 102
123 317 317
124 12 12
131 12 12
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136 153 153
137 74 74
139 39 39
147 43 43
149 90 90
151 262 262
152 16 16
163 16 16
165 215 215
166 145 145
167 90 90
168 16 16
181 78 78
267 82 82
//
system version 2.2.8-SNAPSHOT