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MassBank Record: PS019402

Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQ; MS2

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

ACCESSION: PS019402
RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; 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, A3131.
COMMENT: PRIMe compound in-house ID 194
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$NAME: Arabinopyranose
CH$NAME: D-(-)-Arabinose
CH$NAME: Ara
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C5H10O5
CH$EXACT_MASS: 150.13
CH$SMILES: C1C(C(C(C(O1)O)O)O)O
CH$IUPAC: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
CH$LINK: CAS 10323-20-3
CH$LINK: KEGG C00216
CH$LINK: PUBCHEM CID:6902
CH$LINK: INCHIKEY SRBFZHDQGSBBOR-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 151.13

PK$SPLASH: splash10-014i-9000000000-fa94af40c085841616eb
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  68.0 12892.0 209
  69.0 61613.0 999
  89.0 27142.0 440
  90.0 8556.0 139
//

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