MassBank Record: MSBNK-Waters-WA002728
ACCESSION: MSBNK-Waters-WA002728
RECORD_TITLE: Fipexide; 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$NAME: Fipexide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H21ClN2O4
CH$EXACT_MASS: 388.11898
CH$SMILES: Clc(c4)ccc(c4)OCC(=O)N(C3)CCN(C3)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
CH$LINK: CAS
34161-24-5
CH$LINK: INCHIKEY
BFUJHVVEMMWLHC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5044657
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.400 min
AC$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: splash10-0670-0900000000-3d919255539658cd39fe
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
103 20 20
105 595 595
106 51 51
107 16 16
111 16 16
115 59 59
116 24 24
117 24 24
118 999 999
119 67 67
120 12 12
129 12 12
130 35 35
131 12 12
135 905 905
136 63 63
144 24 24
145 12 12
146 16 16
152 12 12
165 27 27
178 31 31
179 12 12
192 20 20
193 63 63
194 16 16
204 20 20
206 27 27
207 12 12
208 20 20
218 12 12
220 12 12
389 12 12
411 20 20
//
system version 2.2.6-SNAPSHOT