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MassBank Record: KO000551

2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000551
RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:30 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 D013

CH$NAME: 2-Deoxyribose 1-phosphate
CH$NAME: 2-Deoxy-alpha-D-ribose 1-phosphate
CH$NAME: 2-Deoxy-D-ribose 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11O7P
CH$EXACT_MASS: 214.02424
CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O
CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1
CH$LINK: CHEBI 28542
CH$LINK: KEGG C00672
CH$LINK: PUBCHEM SID:3941
CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 213
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-b5dade28a82f8d4349f2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.000 69307.0 10
  64.700 19802.0 3
  78.900 6905947.5 999
  85.000 39604.0 6
  92.800 188119.0 27
  95.400 24752.5 4
  97.100 564357.0 82
  112.900 14851.5 2
  129.300 123762.5 18
  141.800 34653.5 5
  213.200 168317.0 24
//

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