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MassBank Record: KO002957

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: 259.04570
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 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.
  52.900 34653.5 61
  55.100 59406.0 105
  56.400 34653.5 61
  56.900 29703.0 53
  68.800 103960.5 184
  69.900 133663.5 237
  72.100 123762.5 219
  80.100 336634.0 596
  81.000 148515.0 263
  82.300 19802.0 35
  83.300 44554.5 79
  84.100 564357.0 999
  85.300 64356.5 114
  87.200 14851.5 26
  92.100 94059.5 167
  95.100 29703.0 53
  96.900 59406.0 105
  97.900 564357.0 999
  99.100 247525.0 438
  106.900 490099.5 868
  108.100 391089.5 692
  109.000 128713.0 228
  113.000 84158.5 149
  114.500 24752.5 44
  120.100 148515.0 263
  122.300 29703.0 53
  126.000 222772.5 394
  135.100 133663.5 237
  143.500 34653.5 61
  146.800 19802.0 35
  201.200 64356.5 114
//

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