MassBank Record: KO000903



 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) \n

ACCESSION: KO000903
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$NAME: 2-Amino-2-deoxy-D-gluconate CH$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-2c4716d6f9a9d877ca3e PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.000 59406.0 10 73.800 64356.5 11 96.600 24752.5 4 97.600 39604.0 7 101.000 19802.0 3 117.900 14851.5 3 121.900 9901.0 2 130.000 29703.0 5 156.300 39604.0 7 158.100 113861.5 19 194.300 5891095.0 999 //