ACCESSION: MSBNK-Keio_Univ-KO009217
RECORD_TITLE: Purine riboside; LC-ESI-IT; MS3; m/z: 253/121; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P081
COMMENT: [MS2] KO009216

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 253/121
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00di-0900000000-7c291a93f20bd85031ce
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  88.2 7.38 21
  94.1 50.67 148
  100.2 1.93 6
  104.0 1.23 4
  114.1 6.54 19
  121.0 343.11 999
  122.1 139.11 405
  132.8 1.46 4
  136.1 9.69 28
  139.8 2.70 8
  149.1 4.00 12
  154.9 3.85 11
  171.2 25.85 75
  172.1 4.92 14
  174.1 21.45 62
  175.2 5.77 17
  176.1 4.92 14
  178.0 10.92 32
  187.1 98.60 287
  188.2 13.77 40
  189.3 8.24 24
  213.2 15.60 45
  225.2 2.38 7
  229.1 26.05 76
  231.2 4.55 13
  232.2 4.62 13
  236.1 0.85 2
//