MassBank Record: KO003004

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Glucosaminic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003004
RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:10 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 G061

CH$NAME: Glucosaminate
CH$NAME: D-Glucosaminate
CH$NAME: D-Glucosaminic acid
CH$NAME: 2-Amino-2-deoxy-D-gluconate
CH$NAME: Glucosaminic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO6
CH$EXACT_MASS: 195.074289999999990641299518756568431854248046875
CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
CH$LINK: CAS 3646-68-2
CH$LINK: CHEBI 17784
CH$LINK: COMPTOX DTXSID60878848
CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N
CH$LINK: KEGG C03752
CH$LINK: NIKKAJI J205.566J
CH$LINK: PUBCHEM SID:6511

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 196
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0900000000-f27c2d9431564e8d4e9d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  68.000 49505.0 7
  73.700 34653.5 5
  78.000 123762.5 16
  80.600 14851.5 2
  90.200 14851.5 2
  97.300 34653.5 5
  104.800 84158.5 11
  112.200 529703.5 70
  121.400 64356.5 8
  123.300 29703.0 4
  131.500 69307.0 9
  135.800 202970.5 27
  140.600 34653.5 5
  143.200 54455.5 7
  146.800 34653.5 5
  150.300 183168.5 24
  159.700 29703.0 4
  161.300 346535.0 46
  164.300 133663.5 18
  178.000 118812.0 16
  179.300 2326735.0 307
  196.200 7564364.0 999
  214.200 64356.5 8
//