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MassBank Record: KO008969

D-Glucosamine 6-phosphate; LC-ESI-IT; MS3; m/z: 260/206; [M+H]+

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

ACCESSION: KO008969
RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-IT; MS3; m/z: 260/206; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G021
COMMENT: [MS2] KO008968

CH$NAME: D-Glucosamine 6-phosphate
CH$NAME: D-Glucosamine phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14NO8P
CH$EXACT_MASS: 259.04570
CH$SMILES: OC(O1)[C@H](N)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
CH$LINK: CAS 3616-42-0
CH$LINK: CHEBI 15873
CH$LINK: KEGG C00352
CH$LINK: PUBCHEM 3645
CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.55/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 260/206
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-2950000000-06ae7a94593627d58ff6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  78.1 4.85 10
  80.2 69.46 146
  84.0 0.85 2
  98.1 120.53 254
  99.0 16.31 34
  108.1 209.52 442
  109.1 190.71 402
  124.1 7.23 15
  126.1 174.94 369
  161.0 17.83 38
  178.0 114.22 241
  188.1 11.07 23
  189.0 43.30 91
  206.0 473.97 999
//

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