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MassBank Record: PS019901

D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin; LC-ESI-QQ; MS2

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

ACCESSION: PS019901
RECORD_TITLE: D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, G4875.
COMMENT: PRIMe compound in-house ID 199
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: D-(+)-Glucosamine hydrochloride
CH$NAME: GlcN
CH$NAME: Chitosamine hydrochloride
CH$NAME: 2-Amino-2-deoxy-D-glucose hydrochloride
CH$NAME: Cosamin
CH$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: KEGG C00329
CH$LINK: PUBCHEM CID:439213
CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 180.19

PK$SPLASH: splash10-03e9-0900000000-1ef34121bdb6629494c8
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  161.0 47679.0 142
  162.0 301778.0 900
  179.0 52767.0 157
  180.0 334792.0 999
//

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