MassBank Record: MSBNK-Waters-WA002915
ACCESSION: MSBNK-Waters-WA002915
RECORD_TITLE: Norverapamil; 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$NAME: Norverapamil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H36N2O4
CH$EXACT_MASS: 440.26751
CH$SMILES: C(C(C(C)C)(c(c2)cc(c(OC)c2)OC)C#N)CCNCCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
CH$LINK: CAS
67018-85-3
CH$LINK: INCHIKEY
UPKQNCPKPOLASS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80873799
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.180 min
AC$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: splash10-014l-0910200000-01d6edace954a33ae5e8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
105 82 82
107 12 12
121 12 12
122 20 20
133 86 86
134 35 35
135 67 67
137 16 16
150 498 498
151 90 90
153 16 16
165 999 999
166 313 313
167 27 27
177 27 27
240 12 12
247 35 35
260 90 90
261 16 16
289 149 149
290 24 24
441 525 525
442 133 133
443 24 24
463 43 43
479 24 24
//