MassBank Record: KO003004



 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: 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: 195.07429 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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 //