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MassBank Record: KO002955

D-Glucosamine 6-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: KO002955
RECORD_TITLE: D-Glucosamine 6-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 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 20 V

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

PK$SPLASH: splash10-0kdi-1980000000-e74d314fb6f1beee4a7d
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  71.300 39604.0 16
  72.000 64356.5 26
  80.300 19802.0 8
  84.300 193069.5 78
  95.300 19802.0 8
  97.900 292079.5 118
  99.000 94059.5 38
  100.200 9901.0 4
  102.900 34653.5 14
  108.000 316832.0 128
  108.400 242574.5 98
  113.300 84158.5 34
  119.700 19802.0 8
  121.900 14851.5 6
  126.000 2480200.5 999
  131.400 19802.0 8
  135.000 64356.5 26
  144.200 1004951.5 405
  162.000 44554.5 18
  166.100 19802.0 8
  189.400 54455.5 22
  197.000 29703.0 12
  198.200 29703.0 12
  200.000 183168.5 74
  201.200 2217824.0 893
  206.300 925743.5 373
  206.700 24752.5 10
  211.400 44554.5 18
  219.200 34653.5 14
  222.100 69307.0 28
  224.300 321782.5 130
  225.300 64356.5 26
  242.500 178218.0 72
  243.200 198020.0 80
  260.300 99010.0 40
//

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