ACCESSION: MSBNK-RIKEN_ReSpect-PS007402
RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; 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 WAKO, 075-02051.
COMMENT: PRIMe compound in-house ID 74
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$NAME: 2-Amino-3-deoxy-D-galactose Hydrochloride
CH$NAME: D(+)-Galactosamine hydrochloride
CH$NAME: D-Chondrosamine hydrochloride
CH$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$LINK: CAS 7535-00-4
CH$LINK: KEGG C02262
CH$LINK: PUBCHEM CID:24154
CH$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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 180.2

PK$SPLASH: splash10-00di-9300000000-2382d168102454a2d734
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  71.0 7669.0 70
  72.0 109634.0 999
  84.0 4991.0 45
  96.0 17918.0 163
  98.0 7362.0 67
  126.0 6826.0 62
  144.0 7055.0 64
  161.0 12620.0 115
  162.0 29812.0 272
  180.0 6792.0 62
//