MassBank Record: KO002997

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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)

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: 179.079370000000011486918083392083644866943359375
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$LINK: COMPTOX DTXSID4023098
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N
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
//