ACCESSION: MSBNK-Keio_Univ-KO003839
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00di-0900000000-30611d46c742b20458a6
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  43.000 29703.0 1
  55.300 64356.5 1
  57.400 247525.0 1
  58.300 84158.5 1
  59.200 29703.0 1
  61.200 59406.0 1
  62.900 34653.5 1
  70.900 297030.0 1
  72.300 133663.5 1
  72.800 351485.5 2
  76.800 44554.5 1
  79.100 69307.0 1
  83.200 29703.0 1
  84.800 519802.5 2
  87.200 143564.5 1
  92.900 29703.0 1
  97.200 188119.0 1
  100.800 84158.5 1
  102.200 49505.0 1
  102.900 94059.5 1
  105.200 99010.0 1
  109.100 24752.5 1
  113.200 39604.0 1
  114.000 44554.5 1
  114.900 500000.5 2
  121.300 224227947.0 999
  123.100 886139.5 4
  123.900 871288.0 4
  128.700 34653.5 1
  132.100 39604.0 1
  133.000 1064357.5 5
  135.400 14851.5 1
  145.100 24752.5 1
  147.400 19802.0 1
  148.800 44554.5 1
  149.600 19802.0 1
  152.100 19802.0 1
  161.100 49505.0 1
  167.800 14851.5 1
  175.200 440594.5 2
  177.100 79208.0 1
  189.200 59406.0 1
  192.100 29703.0 1
  193.400 99010.0 1
  203.300 2603963.0 12
  207.500 34653.5 1
  221.300 39604.0 1
  236.400 198020.0 1
  253.200 4064360.5 18
//