ACCESSION: MSBNK-RIKEN_ReSpect-PS054101
RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose; 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 Fluka, 18934.
COMMENT: PRIMe compound in-house ID T0049
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$NAME: 2,3,4-Trihydroxybutanal
CH$NAME: (2R,3R)-(-)-Erythrose
CH$NAME: D-(-)-Erythrose
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C₄H₈O₄
CH$EXACT_MASS: 120.104
CH$SMILES: C1C(C(C(O1)O)O)O
CH$IUPAC: InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2
CH$LINK: CAS 583-50-6
CH$LINK: KEGG C01796
CH$LINK: PUBCHEM CID:439574
CH$LINK: INCHIKEY FMAORJIQYMIRHF-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 121.12

PK$SPLASH: splash10-00di-1900000000-6a84b691526146bc856d
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  92.0 5990.0 61
  93.0 15965.0 163
  120.0 10233.0 104
  121.0 97965.0 999
//