MassBank Record: MSBNK-Waters-WA002914
ACCESSION: MSBNK-Waters-WA002914
RECORD_TITLE: Norverapamil; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0gb9-0900000000-7ed17aab94d24c453320
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
103 98 98
105 411 411
106 24 24
107 71 71
109 27 27
118 71 71
119 35 35
120 67 67
121 71 71
122 59 59
123 20 20
124 16 16
131 16 16
133 274 274
134 180 180
135 255 255
136 35 35
137 39 39
138 27 27
139 16 16
146 16 16
150 889 889
151 212 212
152 31 31
153 20 20
165 999 999
166 204 204
167 12 12
177 47 47
179 12 12
191 12 12
218 24 24
220 27 27
247 31 31
260 67 67
289 51 51
441 98 98
442 24 24
463 24 24
479 31 31
//