ACCESSION: MSBNK-Waters-WA002558
RECORD_TITLE: Nitrendipine; 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$NAME: Nitrendipine
CH$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 60 V

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

PK$SPLASH: splash10-016r-0094000000-e13fb86a4e6f803b259e
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  106 24 24
  122 24 24
  133 12 12
  140 12 12
  150 24 24
  156 12 12
  157 43 43
  165 12 12
  166 27 27
  168 59 59
  169 16 16
  171 51 51
  174 16 16
  176 35 35
  177 12 12
  178 12 12
  180 12 12
  181 27 27
  182 39 39
  183 63 63
  189 12 12
  193 12 12
  196 31 31
  197 20 20
  198 20 20
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  208 24 24
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  210 317 317
  211 180 180
  212 47 47
  213 12 12
  214 20 20
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  217 51 51
  225 24 24
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  228 31 31
  229 24 24
  230 16 16
  235 16 16
  236 35 35
  237 55 55
  238 90 90
  239 71 71
  240 51 51
  241 51 51
  243 63 63
  244 16 16
  245 12 12
  247 12 12
  249 12 12
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  255 588 588
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  257 67 67
  258 12 12
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  269 744 744
  270 137 137
  271 47 47
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  383 31 31
//