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: 179.07937
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$LINK: COMPTOX DTXSID4023098
CH$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.
  30.0 39604.0 15.0
  38.7 14851.5 6.0
  40.9 232674.0 89.0
  43.0 123762.0 47.0
  44.0 816832.0 312.0
  45.0 1594060.0 609.0
  46.1 1905940.0 728.0
  53.2 108911.0 42.0
  53.9 24752.5 9.0
  55.1 490100.0 187.0
  56.1 836634.0 320.0
  57.3 653466.0 250.0
  57.9 168317.0 64.0
  59.1 99010.0 38.0
  60.2 1678220.0 641.0
  61.2 227723.0 87.0
  68.2 603961.0 231.0
  69.1 1024750.0 392.0
  70.0 683169.0 261.0
  72.0 2613860.0 999.0
  72.8 143564.0 55.0
  74.3 34653.5 13.0
  79.4 89109.0 34.0
  80.0 198020.0 76.0
  81.3 202970.0 78.0
  82.2 64356.5 25.0
  83.1 59406.0 23.0
  84.1 876238.0 335.0
  85.3 450496.0 172.0
  86.2 118812.0 45.0
  87.0 34653.5 13.0
  91.3 123762.0 47.0
  92.9 19802.0 8.0
  96.0 217822.0 83.0
  97.0 128713.0 49.0
  98.0 94059.5 36.0
  99.4 14851.5 6.0
  105.2 29703.0 11.0
  107.1 54455.5 21.0
  114.4 24752.5 9.0
  115.0 49505.0 19.0
  120.0 29703.0 11.0
//