ACCESSION: MSBNK-RIKEN_ReSpect-PS005706
RECORD_TITLE: Glc(alpha1-4)Glc, 4-O-alpha-D-Glucopyranosyl-D-glucopyranose monohydrate, Maltobiose, D-(+)- Maltose monohydrate, Malt Sugar; 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, M9171.
COMMENT: PRIMe compound in-house ID 57
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$NAME: Glc(alpha1-4)Glc
CH$NAME: 4-O-alpha-D-Glucopyranosyl-D-glucopyranose monohydrate
CH$NAME: Maltobiose
CH$NAME: D-(+)- Maltose monohydrate
CH$NAME: Malt Sugar
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Disaccharide
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.297
CH$SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2
CH$LINK: CAS 69-79-4
CH$LINK: KEGG C00208
CH$LINK: PUBCHEM CID:439186
CH$LINK: INCHIKEY GUBGYTABKSRVRQ-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 60

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 343.35

PK$SPLASH: splash10-0006-0090000000-45acde5483b42d794e42
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
244.0 106953.0 999
//