ACCESSION: MSBNK-Keio_Univ-KO003838
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0uk9-0690000000-3132e9cf975c9d333807
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  71.100 103960.5 1
  71.700 64356.5 1
  76.200 49505.0 1
  80.600 24752.5 1
  84.700 9901.0 1
  91.000 64356.5 1
  101.000 34653.5 1
  108.700 54455.5 1
  111.500 14851.5 1
  113.400 440594.5 2
  114.100 391089.5 2
  115.100 39604.0 1
  121.000 129371416.5 704
  123.000 742575.0 4
  124.100 757426.5 4
  130.300 14851.5 1
  133.100 183168.5 1
  137.300 49505.0 1
  148.700 24752.5 1
  153.300 19802.0 1
  157.100 24752.5 1
  158.700 34653.5 1
  159.800 24752.5 1
  162.800 59406.0 1
  164.900 14851.5 1
  168.000 39604.0 1
  171.300 138614.0 1
  175.000 143564.5 1
  176.200 19802.0 1
  177.300 148515.0 1
  181.400 49505.0 1
  188.900 19802.0 1
  191.200 59406.0 1
  192.200 84158.5 1
  193.200 400990.5 2
  197.200 24752.5 1
  203.000 3841588.0 21
  204.400 19802.0 1
  206.700 29703.0 1
  211.100 29703.0 1
  218.200 128713.0 1
  221.200 3856439.5 21
  234.900 212871.5 1
  236.200 1584160.0 9
  239.200 173267.5 1
  253.200 183589292.5 999
//