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MassBank Record: PS115403

L-6-Deoxygalactose, L-Fucopyranose, Fuc, L-Galactomethylose, L-(-)-Fucose , 6-Deoxy-L-galactopyranose; LC-ESI-QQ; MS2

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

ACCESSION: PS115403
RECORD_TITLE: L-6-Deoxygalactose, L-Fucopyranose, Fuc, L-Galactomethylose, L-(-)-Fucose , 6-Deoxy-L-galactopyranose; 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, F2252.
COMMENT: PRIMe compound in-house ID N0119
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$NAME: L-6-Deoxygalactose
CH$NAME: L-Fucopyranose
CH$NAME: Fuc
CH$NAME: L-Galactomethylose
CH$NAME: L-(-)-Fucose
CH$NAME: 6-Deoxy-L-galactopyranose
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C6H12O5
CH$EXACT_MASS: 164.157
CH$SMILES: CC1C(C(C(C(O1)O)O)O)O
CH$IUPAC: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
CH$LINK: CAS 2438-80-4
CH$LINK: KEGG C01019
CH$LINK: PUBCHEM CID:17106
CH$LINK: INCHIKEY SHZGCJCMOBCMKK-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 164.11

PK$SPLASH: splash10-001i-9000000000-14d5f1474d294628c6c9
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  82.0 114675.0 999
//

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