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MassBank Record: KO002009

Xylose 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: KO002009
RECORD_TITLE: Xylose 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 X008

CH$NAME: Xylose 1-phosphate
CH$NAME: alpha-D-Xylose 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.01915
CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O
CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1
CH$LINK: KEGG C03737
CH$LINK: PUBCHEM SID:6500
CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-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$SPLASH: splash10-004i-8490000000-73f16ff09ac39463071c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  59.200 425743.0 17
  78.800 25727748.5 999
  92.900 39604.0 2
  97.000 9148524.0 355
  103.300 1712873.0 67
  111.400 24752.5 1
  123.300 39604.0 2
  136.900 29703.0 1
  138.900 5396045.0 210
  147.200 11178229.0 434
  151.300 178218.0 7
  169.500 143564.5 6
  183.900 34653.5 1
  185.000 34653.5 1
  193.100 94059.5 4
  197.000 64356.5 2
  211.200 13198033.0 512
  229.100 24990124.0 970
//

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