MassBank Record: KO002957

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D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002957
RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:40 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: 259.0457
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$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N
CH$LINK: KEGG C00352
CH$LINK: NIKKAJI J79.822C
CH$LINK: PUBCHEM SID:3645

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 40 V

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

PK$SPLASH: splash10-053s-9500000000-893a8c94a7631811e68b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  52.9 34653.5 61.0
  55.1 59406.0 105.0
  56.4 34653.5 61.0
  56.9 29703.0 53.0
  68.8 103960.0 184.0
  69.9 133664.0 237.0
  72.1 123762.0 219.0
  80.1 336634.0 596.0
  81.0 148515.0 263.0
  82.3 19802.0 35.0
  83.3 44554.5 79.0
  84.1 564357.0 999.0
  85.3 64356.5 114.0
  87.2 14851.5 26.0
  92.1 94059.5 167.0
  95.1 29703.0 53.0
  96.9 59406.0 105.0
  97.9 564357.0 999.0
  99.1 247525.0 438.0
  106.9 490100.0 868.0
  108.1 391090.0 692.0
  109.0 128713.0 228.0
  113.0 84158.5 149.0
  114.5 24752.5 44.0
  120.1 148515.0 263.0
  122.3 29703.0 53.0
  126.0 222772.0 394.0
  135.1 133664.0 237.0
  143.5 34653.5 61.0
  146.8 19802.0 35.0
  201.2 64356.5 114.0
//