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MassBank Record: KO000550

2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000550
RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-004i-9030000000-118677851e8f5abf6512
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  58.800 69307.0 11
  78.900 6391095.5 999
  93.100 262376.5 41
  95.400 24752.5 4
  97.100 584159.0 91
  125.200 14851.5 2
  129.200 183168.5 29
  130.900 99010.0 15
  141.400 19802.0 3
  149.600 44554.5 7
  155.100 64356.5 10
  169.500 79208.0 12
  176.900 29703.0 5
  195.400 44554.5 7
  213.300 2886141.5 451
//

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