MassBank Record: KO003841

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Purine riboside; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003841
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:40 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$EXACT_MASS: 252.08584999999999354258761741220951080322265625
CH$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: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N
CH$LINK: KEGG C01736
CH$LINK: PUBCHEM SID:4871

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 40 V

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

PK$SPLASH: splash10-00di-0900000000-1ca445719eb772d826e5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43.200 207921.0 2
  44.100 29703.0 1
  44.900 143564.5 1
  55.200 757426.5 7
  57.300 1465348.0 14
  58.900 183168.5 2
  61.100 386139.0 4
  67.200 153465.5 1
  69.000 980199.0 9
  71.000 693070.0 7
  71.800 49505.0 1
  72.900 782179.0 7
  77.900 44554.5 1
  79.200 316832.0 3
  80.100 198020.0 2
  80.900 24752.5 1
  85.000 945545.5 9
  87.000 59406.0 1
  91.000 24752.5 1
  91.200 14851.5 1
  93.000 24752.5 1
  94.200 2029705.0 19
  96.800 262376.5 2
  98.400 29703.0 1
  102.400 54455.5 1
  104.400 49505.0 1
  106.000 24752.5 1
  107.200 34653.5 1
  114.800 69307.0 1
  119.100 34653.5 1
  120.300 118812.0 1
  121.000 105049610.0 999
  123.000 54455.5 1
  178.900 9901.0 1
//