ACCESSION: MSBNK-Waters-WA002394
RECORD_TITLE: Dipyridamole; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0a4i-0439660000-33dccd6e3a1df3f3b9b4
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  106 20 20
  111 137 137
  112 43 43
  113 51 51
  114 451 451
  115 51 51
  116 43 43
  123 16 16
  124 12 12
  126 16 16
  131 24 24
  136 16 16
  139 20 20
  156 24 24
  157 16 16
  179 12 12
  192 16 16
  205 12 12
  206 16 16
  207 20 20
  208 12 12
  222 12 12
  223 16 16
  225 12 12
  226 16 16
  230 12 12
  232 12 12
  233 12 12
  246 16 16
  247 20 20
  248 12 12
  251 12 12
  253 20 20
  258 12 12
  259 16 16
  260 20 20
  261 16 16
  269 27 27
  270 16 16
  272 27 27
  273 20 20
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  275 24 24
  276 12 12
  277 12 12
  278 16 16
  285 12 12
  286 24 24
  287 24 24
  288 27 27
  289 12 12
  290 35 35
  293 12 12
  300 16 16
  301 12 12
  302 55 55
  303 35 35
  304 27 27
  305 12 12
  311 12 12
  314 16 16
  315 24 24
  316 59 59
  317 55 55
  318 27 27
  320 16 16
  321 20 20
  328 12 12
  329 27 27
  330 39 39
  331 35 35
  332 27 27
  333 16 16
  334 16 16
  335 12 12
  341 20 20
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  343 24 24
  344 20 20
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  383 12 12
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  397 12 12
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  404 63 63
  405 20 20
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  417 74 74
  418 24 24
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  430 133 133
  431 47 47
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  444 16 16
  449 12 12
  460 35 35
  461 47 47
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  487 78 78
  488 27 27
  503 12 12
  505 999 999
  506 309 309
  507 51 51
//