MassBank Record: KO002996



 D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002996
RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-1440317d39cbf247d61a PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 29.500 24752.5 3 31.300 39604.0 5 41.100 207921.0 25 42.200 39604.0 5 43.100 148515.0 18 44.200 589109.5 72 44.900 1945546.5 237 46.000 3014854.5 367 52.800 39604.0 5 53.400 19802.0 2 55.100 693070.0 84 56.200 589109.5 72 57.200 1311882.5 160 58.100 227723.0 28 59.200 188119.0 23 60.100 2841587.0 346 61.400 460396.5 56 63.000 84158.5 10 64.600 9901.0 1 68.200 613862.0 75 69.100 1490100.5 181 69.800 1212872.5 148 72.000 8202978.5 999 72.900 178218.0 22 73.900 103960.5 13 79.500 64356.5 8 80.200 485149.0 59 81.300 405941.0 49 82.000 193069.5 24 83.200 153465.5 19 84.000 4044558.5 493 85.000 2133665.5 260 85.900 341584.5 42 87.200 54455.5 7 87.400 74257.5 9 89.300 757426.5 92 90.200 108911.0 13 90.800 54455.5 7 94.900 64356.5 8 96.000 995050.5 121 97.000 707921.5 86 97.800 707921.5 86 99.100 153465.5 19 100.200 79208.0 10 100.900 84158.5 10 102.000 183168.5 22 102.900 123762.5 15 105.000 54455.5 7 106.800 99010.0 12 108.000 103960.5 13 109.200 232673.5 28 114.100 316832.0 39 116.100 99010.0 12 116.800 118812.0 14 119.100 44554.5 5 121.200 24752.5 3 126.300 371287.5 45 127.200 153465.5 19 127.600 49505.0 6 144.100 148515.0 18 145.100 108911.0 13 162.000 123762.5 15 163.300 89109.0 11 180.200 39604.0 5 //