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MassBank Record: WA002559

Nitrendipine; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002559
RECORD_TITLE: Nitrendipine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-016r-0019000000-4a6d1d5877cabf4a5081
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  106 12 12
  122 12 12
  157 16 16
  171 12 12
  209 16 16
  210 20 20
  226 27 27
  238 12 12
  253 12 12
  254 20 20
  255 35 35
  267 27 27
  268 63 63
  269 78 78
  270 12 12
  283 82 82
  284 16 16
  298 35 35
  301 74 74
  312 12 12
  315 999 999
  316 153 153
  317 24 24
  329 690 690
  330 118 118
  331 47 47
  332 12 12
  345 12 12
  359 24 24
  361 16 16
  377 16 16
  383 27 27
//

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