ACCESSION: MSBNK-Keio_Univ-KO003840
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P081

CH$NAME: Purine riboside
CH$NAME: Purine nucleoside
CH$NAME: N-D-Ribosylpurine
CH$NAME: Nebularine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₄O₄
CH$EXACT_MASS: 252.08585
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2
CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
CH$LINK: CAS 550-33-4 9030-21-1
CH$LINK: CHEBI 18255
CH$LINK: KEGG C01736
CH$LINK: PUBCHEM SID:4871
CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 253
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0900000000-bf687a37f1a8fdee4b9f
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43.100 49505.0 1
  45.000 34653.5 1
  55.100 430693.5 2
  57.200 975248.5 6
  59.100 143564.5 1
  61.000 232673.5 1
  63.000 24752.5 1
  69.100 668317.5 4
  71.100 396040.0 2
  72.100 69307.0 1
  73.000 886139.5 5
  74.900 59406.0 1
  79.300 282178.5 2
  80.000 133663.5 1
  81.300 49505.0 1
  85.300 1138615.0 7
  86.800 267327.0 2
  94.100 262376.5 2
  95.000 54455.5 1
  97.100 400990.5 2
  98.800 59406.0 1
  101.100 79208.0 1
  103.000 207921.0 1
  104.900 84158.5 1
  105.800 24752.5 1
  113.600 14851.5 1
  115.100 430693.5 2
  119.400 24752.5 1
  120.300 168317.0 1
  121.000 173445718.0 999
  123.200 490099.5 3
  124.200 346535.0 2
  133.300 282178.5 2
  146.800 14851.5 1
  149.200 44554.5 1
  150.300 34653.5 1
  179.200 24752.5 1
  193.400 9901.0 1
  203.600 14851.5 1
  236.600 49505.0 1
//