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MassBank Record: KO000249

D-Arabinose 5-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: KO000249
RECORD_TITLE: D-Arabinose 5-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 A147

CH$NAME: Arabinose 5-phosphate
CH$NAME: D-Arabinose 5-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.01915
CH$SMILES: O=C[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
CH$LINK: CAS 13137-52-5
CH$LINK: CHEBI 16241
CH$LINK: KEGG C01112
CH$LINK: PUBCHEM SID:4344
CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-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$FOCUSED_ION: PRECURSOR_M/Z 229
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-9100000000-2045507193c154fa6155
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  59.200 118812.0 5
  77.000 39604.0 2
  79.000 5029708.0 196
  89.100 173267.5 7
  93.100 69307.0 3
  94.600 29703.0 1
  96.900 25633689.0 999
  101.100 128713.0 5
  128.800 9901.0 1
  139.100 4643569.0 181
  150.500 19802.0 1
  165.500 89109.0 3
  169.000 470297.5 18
  193.100 425743.0 17
  196.100 19802.0 1
  229.200 1465348.0 57
//

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