ACCESSION: MSBNK-Waters-WA002395
RECORD_TITLE: Dipyridamole; 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$NAME: Dipyridamole
CH$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 15.660 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 75 V

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

PK$SPLASH: splash10-0a4i-0100190000-ba3e9ce731789403a0d9
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  111 74 74
  113 16 16
  114 90 90
  123 16 16
  131 12 12
  157 12 12
  251 12 12
  253 16 16
  269 12 12
  348 12 12
  378 12 12
  385 71 71
  386 16 16
  404 16 16
  416 12 12
  417 20 20
  420 12 12
  422 20 20
  429 51 51
  430 24 24
  443 16 16
  460 27 27
  461 24 24
  487 24 24
  505 999 999
  506 286 286
  507 55 55
//