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MassBank Record: KO003842

Purine riboside; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003842
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-00di-2900000000-d4186191baed33ece266
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  40.800 49505.0 1
  43.100 237624.0 6
  45.200 138614.0 4
  55.200 623763.0 16
  57.100 826733.5 21
  59.200 59406.0 2
  61.100 252475.5 6
  67.100 831684.0 21
  69.000 732674.0 19
  71.100 608911.5 15
  73.000 420792.5 11
  77.300 118812.0 3
  77.900 49505.0 1
  78.900 44554.5 1
  79.800 84158.5 2
  85.300 331683.5 8
  94.100 5752481.0 146
  96.900 44554.5 1
  103.800 49505.0 1
  104.700 39604.0 1
  110.000 14851.5 1
  121.300 39495089.0 999
  132.700 19802.0 1
//

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