ACCESSION: MSBNK-RIKEN_NPDepo-NGA01815
RECORD_TITLE: Vidarabine phosphate; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-0902000000-5b25300b268525208c67
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  135.2 0.31 0
  135.3 1.55 1
  135.4 5.23 5
  135.5 11.59 11
  135.6 21.57 21
  135.7 36.9 36
  135.8 57.68 57
  135.9 79.56 79
  136.0 95.27 95
  136.1 100.0 99
  136.2 93.56 93
  136.3 77.48 77
  136.4 53.72 53
  136.5 27.51 27
  136.6 7.13 7
  136.7 0.0 0
  347.4 1.68 1
  347.5 2.99 2
  347.6 5.39 5
  347.7 9.35 9
  347.8 14.7 14
  347.9 20.55 20
  348.0 25.6 25
  348.1 28.31 28
  348.2 27.23 27
  348.3 21.83 21
  348.4 13.54 13
  348.5 5.46 5
  348.6 0.75 0
//