MassBank Record: KO002008

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Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO002008
RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:10 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: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N
CH$LINK: KEGG C03737
CH$LINK: PUBCHEM SID:6500

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 229
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-0090000000-6137fcb92a26be2089b7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.1 202970.0 1.0
  78.7 257426.0 2.0
  92.4 24752.5 1.0
  96.8 683169.0 4.0
  131.8 64356.5 1.0
  133.2 29703.0 1.0
  138.7 267327.0 2.0
  147.1 3628720.0 23.0
  158.5 9901.0 1.0
  168.9 168317.0 1.0
  185.2 79208.0 1.0
  197.2 103960.0 1.0
  210.9 2762380.0 18.0
  229.1 1.5597E8 999.0
//