MassBank Record: KO000904



 Glucosaminic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000904
RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00dl-9400000000-c0bdb2f22cdd1a8a8a10 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.300 143564.5 152 70.000 29703.0 31 74.200 945545.5 999 85.900 361386.5 382 88.700 24752.5 26 89.400 84158.5 89 96.500 44554.5 47 98.100 316832.0 335 100.800 44554.5 47 127.900 168317.0 178 140.100 34653.5 37 149.400 19802.0 21 157.800 79208.0 84 194.500 559406.5 591 //