MassBank Record: PS119301

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(3R-cis) (?)-Dihydro-3,4-dihydroxy-2(3H)-furanone, D-Erythronolactone, D-Erythronic acid gamma-lactone; LC-ESI-QQ; MS2

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

ACCESSION: PS119301
RECORD_TITLE: (3R-cis) (?)-Dihydro-3,4-dihydroxy-2(3H)-furanone, D-Erythronolactone, D-Erythronic acid gamma-lactone; 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: All users must cite follwing literature in publication(s).
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: PRIMe compound in-house ID V0067
COMMENT: Source compound Fluka, 45676.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.

CH$NAME: (3R-cis) (?)-Dihydro-3,4-dihydroxy-2(3H)-furanone
CH$NAME: D-Erythronolactone
CH$NAME: D-Erythronic acid gamma-lactone
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C4H6O4
CH$EXACT_MASS: 118.087999999999993860910763032734394073486328125
CH$SMILES: C1C(C(C(=O)O1)O)O
CH$IUPAC: InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2
CH$LINK: CAS 15667-21-7
CH$LINK: INCHIKEY SGMJBNSHAZVGMC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5325915

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 118.14

PK$SPLASH: splash10-014i-0900000000-397f7fcec7c1c993086f
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  119.0 141744.0 999
//