ACCESSION: MSBNK-Waters-WA002563
RECORD_TITLE: Nicardipine; 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$NAME: Nicardipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₉N₃O₆
CH$EXACT_MASS: 479.20564
CH$SMILES: c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C
CH$IUPAC: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
CH$LINK: CAS 55985-32-5
CH$LINK: INCHIKEY ZBBHBTPTTSWHBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023363

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 16.250 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$SPLASH: splash10-02t9-0390000000-12b7bb91b3b814d1a1d8
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 16 16
  104 16 16
  105 141 141
  106 74 74
  107 12 12
  111 55 55
  115 16 16
  116 12 12
  118 71 71
  120 16 16
  128 39 39
  129 47 47
  130 51 51
  132 102 102
  133 39 39
  134 67 67
  139 20 20
  140 47 47
  141 47 47
  142 35 35
  143 47 47
  144 20 20
  145 24 24
  146 31 31
  147 12 12
  148 67 67
  150 51 51
  151 12 12
  152 16 16
  153 31 31
  154 47 47
  155 35 35
  156 24 24
  157 39 39
  158 16 16
  165 239 239
  166 74 74
  167 47 47
  168 192 192
  169 43 43
  170 35 35
  171 63 63
  172 24 24
  173 16 16
  174 39 39
  176 106 106
  177 12 12
  178 12 12
  179 20 20
  180 153 153
  181 176 176
  182 165 165
  183 137 137
  184 47 47
  185 12 12
  186 20 20
  189 39 39
  192 35 35
  193 82 82
  194 59 59
  195 27 27
  196 180 180
  197 67 67
  198 86 86
  199 20 20
  200 90 90
  201 35 35
  202 20 20
  203 24 24
  207 20 20
  208 286 286
  209 407 407
  210 854 854
  211 501 501
  212 90 90
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  214 39 39
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  221 20 20
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  228 43 43
  229 24 24
  230 24 24
  231 12 12
  235 31 31
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  237 161 161
  238 106 106
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  243 20 20
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  254 533 533
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  256 106 106
  257 51 51
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  269 999 999
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  271 27 27
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  299 31 31
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  360 12 12
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  381 39 39
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  481 16 16
  514 39 39
  518 12 12
//