MassBank Record: KO000905



 Glucosaminic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000905
RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:30 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$NAME: 2-Amino-2-deoxy-D-gluconate CH$NAME: D-Glucosaminic acid CH$NAME: Glucosaminic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13NO6 CH$EXACT_MASS: 195.07429 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$LINK: KEGG C03752 CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-f5cfb6dc5a7ee474c393 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 59.300 321782.5 318 69.500 39604.0 39 74.000 1009902.0 999 78.300 29703.0 29 82.000 19802.0 20 84.400 9901.0 10 86.300 103960.5 103 88.800 29703.0 29 97.700 69307.0 69 106.900 14851.5 15 135.100 24752.5 24 194.100 19802.0 20 //