ACCESSION: MSBNK-Keio_Univ-KO002994
RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:3623
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N
CH$LINK: COMPTOX DTXSID4023098

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
//