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MassBank Record: PT101993

D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin, (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; LC-ESI-QTOF; MS2

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

ACCESSION: PT101993
RECORD_TITLE: D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin, (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-(+)-Glucosamine hydrochloride
CH$NAME: GlcN
CH$NAME: Chitosamine hydrochloride
CH$NAME: 2-Amino-2-deoxy-D-glucose hydrochloride
CH$NAME: Cosamin
CH$NAME: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C6H13NO5
CH$EXACT_MASS: 179.172
CH$SMILES: C(C1C(C(C(C(O1)O)N)O)O)O
CH$IUPAC: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2
CH$LINK: CAS 3416-24-8
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 180.08717

PK$SPLASH: splash10-001i-1900000000-72244a903a1a0f35ac2a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  72.0467 5.321 163
  162.08 5.198 160
  179.9997 2.999 92
  180.0333 3.252 100
  180.0872 32.53 999
//

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