ACCESSION: MSBNK-RIKEN_NPDepo-NGA01816
RECORD_TITLE: Vidarabine phosphate; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0002-0609000000-df2c8c7b6564503316cf
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  135.3 1.25 1
  135.4 3.42 3
  135.5 6.69 6
  135.6 12.13 12
  135.7 21.92 21
  135.8 36.44 36
  135.9 51.64 51
  136.0 61.55 61
  136.1 63.69 63
  136.2 59.76 59
  136.3 51.23 51
  136.4 37.58 37
  136.5 20.45 20
  136.6 5.62 5
  136.7 0.0 0
  347.2 1.14 1
  347.3 2.62 2
  347.4 5.51 5
  347.5 10.5 10
  347.6 18.94 18
  347.7 32.58 32
  347.8 51.68 51
  347.9 73.07 72
  348.0 90.92 90
  348.1 100.0 99
  348.2 97.11 97
  348.3 80.71 80
  348.4 53.19 53
  348.5 23.62 23
  348.6 3.52 3
//