MassBank Record: KO002997



 D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002997
RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:40 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 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$LINK: PUBCHEM SID:3623
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-006t-9000000000-3db0033f560f05d0137e PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 30.000 39604.0 15 38.700 14851.5 6 40.900 232673.5 89 43.000 123762.5 47 44.000 816832.5 312 45.000 1594061.0 609 46.100 1905942.5 728 53.200 108911.0 42 53.900 24752.5 9 55.100 490099.5 187 56.100 836634.5 320 57.300 653466.0 250 57.900 168317.0 64 59.100 99010.0 38 60.200 1678219.5 641 61.200 227723.0 87 68.200 603961.0 231 69.100 1024753.5 392 70.000 683169.0 261 72.000 2613864.0 999 72.800 143564.5 55 74.300 34653.5 13 79.400 89109.0 34 80.000 198020.0 76 81.300 202970.5 78 82.200 64356.5 25 83.100 59406.0 23 84.100 876238.5 335 85.300 450495.5 172 86.200 118812.0 45 87.000 34653.5 13 91.300 123762.5 47 92.900 19802.0 8 96.000 217822.0 83 97.000 128713.0 49 98.000 94059.5 36 99.400 14851.5 6 105.200 29703.0 11 107.100 54455.5 21 114.400 24752.5 9 115.000 49505.0 19 120.000 29703.0 11 //