ACCESSION: MSBNK-RIKEN_ReSpect-PS007403
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 30

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

PK$SPLASH: splash10-00di-9000000000-40398b46abcaa491fb4b
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.0 9827.0 128
  44.0 17812.0 232
  60.0 2845.0 37
  68.0 2398.0 31
  69.0 3836.0 50
  70.0 3299.0 43
  71.0 24396.0 318
  72.0 76628.0 999
  73.0 2328.0 30
  95.0 2496.0 33
  96.0 11630.0 152
  97.0 2946.0 38
  162.0 5831.0 76
//