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MassBank Record: KO002998

D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002998
RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:50 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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0005-9000000000-87345e602c89eb5bd145
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  29.900 29703.0 44
  41.100 128713.0 192
  42.200 89109.0 133
  43.100 118812.0 178
  44.100 490099.5 733
  45.200 420792.5 629
  46.200 668317.5 999
  53.300 54455.5 81
  55.100 123762.5 185
  56.300 287129.0 429
  56.900 84158.5 126
  58.300 59406.0 89
  60.200 396040.0 592
  67.400 69307.0 104
  69.000 366337.0 548
  70.100 84158.5 126
  72.000 336634.0 503
  78.100 59406.0 89
  80.900 9901.0 15
  83.900 74257.5 111
  85.000 39604.0 59
  95.800 19802.0 30
  115.300 44554.5 67
//

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