MassBank Record: KO002994



 D-(+)-Glucosamine; 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: KO002994
RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G051

CH$NAME: Glucosamine CH$NAME: D-Glucosamine CH$NAME: Chitosamine CH$NAME: 2-Amino-2-deoxy-D-glucose CH$NAME: D-(+)-Glucosamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13NO5 CH$EXACT_MASS: 179.07937 CH$SMILES: OCC(O1)C(O)C(O)C(N)C(O)1 CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1 CH$LINK: CAS 3416-24-8 CH$LINK: CHEBI 17315 CH$LINK: KEGG C00329 CH$LINK: NIKKAJI J10.582A CH$LINK: PUBCHEM SID:3623 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N
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 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03e9-0900000000-3e8831c89ee8d705db41 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 46.000 3178221.0 65 54.200 2222774.5 45 55.800 39604.0 1 59.000 39604.0 1 59.800 94059.5 2 72.100 1178219.0 24 76.300 79208.0 2 77.900 34653.5 1 80.300 94059.5 2 80.500 19802.0 1 83.400 64356.5 1 84.000 1311882.5 27 84.800 94059.5 2 85.400 14851.5 1 87.000 133663.5 3 89.000 782179.0 16 90.100 282178.5 6 90.900 89109.0 2 93.800 29703.0 1 95.200 14851.5 1 96.100 133663.5 3 97.600 94059.5 2 98.100 89109.0 2 99.100 24752.5 1 100.900 688119.5 14 102.400 118812.0 2 107.100 3004953.5 61 108.400 118812.0 2 109.300 29703.0 1 112.000 188119.0 4 112.700 69307.0 1 113.800 163366.5 3 114.400 74257.5 2 116.300 272277.5 6 117.200 247525.0 5 119.300 24752.5 1 119.900 89109.0 2 121.700 34653.5 1 125.900 504951.0 10 127.100 460396.5 9 129.100 39604.0 1 130.200 64356.5 1 131.100 351485.5 7 132.300 99010.0 2 144.000 1965348.5 40 145.200 475248.0 10 147.900 490099.5 10 162.200 49029752.0 999 163.300 38366375.0 782 180.200 48376286.0 986 198.200 24752.5 1 217.300 24752.5 1 246.100 19802.0 1 //