MassBank Record: KO002995



 D-(+)-Glucosamine; 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: KO002995
RECORD_TITLE: D-(+)-Glucosamine; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03l9-9500000000-35d8aa59734319e98c20 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 36.000 188119.0 19 42.400 14851.5 1 45.000 732674.0 73 46.000 3574261.0 357 54.200 69307.0 7 55.000 534654.0 53 56.300 103960.5 10 57.300 534654.0 53 58.100 69307.0 7 59.100 321782.5 32 60.200 2034655.5 203 61.200 153465.5 15 62.900 133663.5 13 68.000 405941.0 41 69.200 589109.5 59 70.100 514852.0 51 72.000 10004960.5 999 72.800 242574.5 24 74.000 64356.5 6 79.900 301980.5 30 80.800 301980.5 30 83.400 688119.5 69 84.100 9742584.0 973 85.000 3881192.0 388 86.000 475248.0 47 87.000 267327.0 27 89.200 4445549.0 444 90.100 485149.0 48 90.500 74257.5 7 94.800 29703.0 3 96.000 1480199.5 148 97.100 945545.5 94 98.100 1985150.5 198 98.800 232673.5 23 100.000 173267.5 17 101.100 3103963.5 310 101.900 995050.5 99 102.900 282178.5 28 106.800 3504954.0 350 108.000 331683.5 33 109.200 297030.0 30 113.100 163366.5 16 114.000 1445546.0 144 115.100 262376.5 26 116.300 242574.5 24 117.300 128713.0 13 119.800 69307.0 7 120.500 54455.5 5 121.400 69307.0 7 126.000 1910893.0 191 127.000 965347.5 96 128.000 202970.5 20 131.800 108911.0 11 137.800 34653.5 3 144.100 3519805.5 351 145.100 589109.5 59 145.500 44554.5 4 162.300 9064365.5 905 163.200 1772279.0 177 180.300 410891.5 41 //