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MassBank Record: KO002958

D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002958
RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:50 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 G021

CH$NAME: Glucosamine 6-phosphate
CH$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: NIKKAJI J79.822C
CH$LINK: PUBCHEM SID:3645
CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 260
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9300000000-38d009fc68374596d4ca
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  55.200 39604.0 123
  56.200 24752.5 77
  68.700 39604.0 123
  70.100 123762.5 384
  71.800 59406.0 184
  72.900 19802.0 61
  80.200 321782.5 999
  81.200 94059.5 292
  84.100 99010.0 307
  85.000 29703.0 92
  90.000 44554.5 138
  92.100 64356.5 200
  95.000 24752.5 77
  97.200 24752.5 77
  98.100 123762.5 384
  107.100 168317.0 523
  108.100 49505.0 154
  113.100 103960.5 323
  119.900 29703.0 92
  144.000 29703.0 92
//

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