ACCESSION: MSBNK-Waters-WA002557
RECORD_TITLE: Nitrendipine; 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$NAME: Nitrendipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀N₂O₆
CH$EXACT_MASS: 360.13214
CH$SMILES: CCOC(=O)C(=C(C)1)C(c(c2)cc(N(=O)=O)cc2)C(C(=O)OC)=C(C)N1
CH$IUPAC: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
CH$LINK: CAS 39562-70-4
CH$LINK: INCHIKEY PVHUJELLJLJGLN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023373

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 18.180 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$SPLASH: splash10-0o90-0390000000-4f44cc2b9aaf6a18877d
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  104 31 31
  105 12 12
  106 51 51
  107 12 12
  108 16 16
  115 39 39
  117 27 27
  118 55 55
  120 12 12
  122 51 51
  128 55 55
  129 51 51
  130 43 43
  131 24 24
  133 35 35
  134 71 71
  139 12 12
  140 67 67
  141 51 51
  143 74 74
  144 16 16
  145 27 27
  146 24 24
  147 24 24
  150 168 168
  151 35 35
  152 20 20
  153 31 31
  154 43 43
  155 47 47
  156 35 35
  157 47 47
  158 16 16
  159 16 16
  160 12 12
  165 67 67
  166 63 63
  167 55 55
  168 396 396
  169 78 78
  170 67 67
  171 94 94
  172 20 20
  173 12 12
  174 31 31
  176 133 133
  177 12 12
  178 47 47
  179 12 12
  180 141 141
  181 188 188
  182 251 251
  183 212 212
  184 82 82
  185 16 16
  186 39 39
  189 59 59
  192 12 12
  193 31 31
  194 47 47
  195 27 27
  196 188 188
  197 90 90
  198 145 145
  199 51 51
  200 90 90
  201 16 16
  202 16 16
  207 27 27
  208 278 278
  209 451 451
  210 999 999
  211 443 443
  212 161 161
  213 20 20
  214 43 43
  215 31 31
  217 78 78
  218 12 12
  221 20 20
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  224 31 31
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  226 913 913
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  228 59 59
  229 24 24
  230 16 16
  235 24 24
  236 204 204
  237 129 129
  238 106 106
  239 59 59
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  243 55 55
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  249 16 16
  252 12 12
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  254 776 776
  255 905 905
  256 188 188
  257 47 47
  258 12 12
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  269 509 509
  270 118 118
  271 24 24
  273 12 12
  281 35 35
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  285 59 59
  286 12 12
  298 78 78
  299 24 24
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  302 27 27
  303 12 12
  315 121 121
  329 71 71
  330 12 12
  331 27 27
  378 12 12
  383 20 20
//