ACCESSION: MSBNK-RIKEN_NPDepo-NGA01813
RECORD_TITLE: Vidarabine phosphate; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Purines

CH$NAME: Vidarabine phosphate
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₁₀H₁₃N₅NaO₇P
CH$EXACT_MASS: 369.208
CH$SMILES: Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])O)[C@H](O)[C@H]1O.[Na+]
CH$IUPAC: InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7+,10-;/m0./s1
CH$LINK: CAS 29984-33-6
CH$LINK: CHEMSPIDER 31993
CH$LINK: INCHIKEY FYWLYWMEGHCZAX-XKIWAKPUSA-M
CH$LINK: PUBCHEM CID:23704776

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-b91a1da11bf270afbc6a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  96.6 2.25 2
  96.7 3.3 3
  96.8 4.53 4
  96.9 5.83 5
  97.0 6.77 6
  97.1 7.0 6
  97.2 6.56 6
  97.3 5.52 5
  97.4 3.85 3
  97.5 1.89 1
  135.2 0.95 0
  135.3 2.8 2
  135.4 6.1 6
  135.5 11.58 11
  135.6 21.4 21
  135.7 37.5 37
  135.8 58.3 58
  135.9 78.52 78
  136.0 93.12 93
  136.1 100.0 99
  136.2 98.26 98
  136.3 85.72 85
  136.4 61.79 61
  136.5 32.55 32
  136.6 8.9 8
  136.7 0.04 0
//