MassBank Record: KO000907



 Glucosaminic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000907
RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05fr-9000000000-1ca83fee626178d94725 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 59.000 163366.5 845 73.900 193069.5 999 79.200 24752.5 128 //