ACCESSION: MSBNK-Waters-WA000419
RECORD_TITLE: Didanosine; 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$NAME: Didanosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₄O₃
CH$EXACT_MASS: 236.09094
CH$SMILES: OCC(C3)OC(C3)n(c2)c(n1)c(n2)c(O)nc1
CH$IUPAC: InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
CH$LINK: CAS 69655-05-6
CH$LINK: INCHIKEY BXZVVICBKDXVGW-NKWVEPMBSA-N
CH$LINK: COMPTOX DTXSID6022927

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 2.670 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$SPLASH: splash10-000i-0900000000-8952b785589bff8adb6c
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  110 223 223
  112 12 12
  119 192 192
  120 12 12
  137 999 999
  138 67 67
  159 12 12
  237 27 27
  473 27 27
//