ACCESSION: MSBNK-Waters-WA002913
RECORD_TITLE: Norverapamil; 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$NAME: Norverapamil
CH$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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-1000-0900000000-50097ad143a6d21b807e
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  103 353 353
  104 94 94
  105 729 729
  106 27 27
  107 341 341
  108 43 43
  109 55 55
  110 12 12
  115 16 16
  118 270 270
  119 235 235
  120 149 149
  121 298 298
  122 118 118
  123 43 43
  124 35 35
  131 82 82
  132 16 16
  133 341 341
  134 388 388
  135 599 599
  136 71 71
  137 59 59
  138 63 63
  139 24 24
  144 39 39
  145 12 12
  146 31 31
  147 12 12
  148 12 12
  149 35 35
  150 999 999
  151 282 282
  152 43 43
  153 16 16
  160 24 24
  161 12 12
  165 819 819
  166 82 82
  174 12 12
  176 16 16
  177 39 39
  179 12 12
  187 16 16
  188 12 12
  191 20 20
  202 16 16
  203 12 12
  218 20 20
  220 27 27
  260 20 20
  441 94 94
  442 20 20
  463 27 27
  479 63 63
  480 12 12
//