MassBank Record: MSBNK-Waters-WA002384
ACCESSION: MSBNK-Waters-WA002384
RECORD_TITLE: Perindoprilat (diacid form); 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$NAME: Perindoprilat (diacid form)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28N2O5
CH$EXACT_MASS: 340.19982
CH$SMILES: CCCC(C(O)=O)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1
CH$IUPAC: InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
CH$LINK: CAS
95153-31-4
CH$LINK: INCHIKEY
ODAIHABQVKJNIY-PEDHHIEDSA-N
CH$LINK: COMPTOX
DTXSID90869249
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.700 min
AC$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: splash10-00dl-0900000000-b29add841428616c2f38
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
102 20 20
107 20 20
109 27 27
111 12 12
116 59 59
122 35 35
124 133 133
128 16 16
133 39 39
141 12 12
144 521 521
145 31 31
170 999 999
171 74 74
177 16 16
185 12 12
192 24 24
194 12 12
215 12 12
251 12 12
295 106 106
296 20 20
339 16 16
341 121 121
342 27 27
//