MassBank Record: MSBNK-Waters-WA002604
ACCESSION: MSBNK-Waters-WA002604
RECORD_TITLE: Dehydronifedipine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Dehydronifedipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H16N2O6
CH$EXACT_MASS: 344.10084
CH$SMILES: COC(=O)c(c(C)1)c(c(c2)c(ccc2)[N+1]([O-1])=O)c(C(=O)OC)c(C)n1
CH$IUPAC: InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3
CH$LINK: CAS
67035-22-7
CH$LINK: INCHIKEY
UMQHJQGNGLQJPF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9052347
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0059000000-fdc383120572edb65636
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
182 12 12
209 27 27
210 35 35
211 16 16
237 55 55
252 31 31
256 86 86
257 12 12
267 67 67
268 125 125
269 90 90
270 12 12
284 313 313
285 43 43
345 999 999
346 447 447
347 67 67
367 12 12
//
system version 2.2.6-SNAPSHOT