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MassBank Record: WA002396

Dipyridamole; LC-ESI-Q; MS; POS; 15 V, 60 V

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

ACCESSION: WA002396
RECORD_TITLE: Dipyridamole; LC-ESI-Q; MS; POS; 15 V, 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Dipyridamole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H40N8O4
CH$EXACT_MASS: 504.31725
CH$SMILES: OCCN(CCO)c(n1)nc(c(N(C4)CCCC4)3)c(nc(N(CCO)CCO)n3)c(N(C2)CCCC2)1
CH$IUPAC: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
CH$LINK: CAS 58-32-2
CH$LINK: INCHIKEY IZEKFCXSFNUWAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040668

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 13.660 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 15 V, 60 V

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

PK$SPLASH: splash10-0a4i-0000090000-aae3da31e95f6a72ab53
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  269 110 110
  270 27 27
  492 12 12
  505 999 999
  506 290 290
  507 47 47
  553 20 20
//

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