ACCESSION: MSBNK-RIKEN_ReSpect-PS055007
RECORD_TITLE: Xylitol, Xylosic alcohol, Newtol, Wood sugar alcohol, Xylite, Xylisorb, Kylit, Eutrit, Xyliton; 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, X3375.
COMMENT: PRIMe compound in-house ID T0058
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$NAME: Xylitol
CH$NAME: Xylosic alcohol
CH$NAME: Newtol
CH$NAME: Wood sugar alcohol
CH$NAME: Xylite
CH$NAME: Xylisorb
CH$NAME: Kylit
CH$NAME: Eutrit
CH$NAME: Xyliton
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C₅H₁₂O₅
CH$EXACT_MASS: 152.146
CH$SMILES: C(C(C(C(CO)O)O)O)O
CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
CH$LINK: CAS 87-99-0
CH$LINK: KEGG C00379
CH$LINK: PUBCHEM CID:6912
CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N

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

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 151.13

PK$SPLASH: splash10-0udi-0900000000-079c39d21ec576abbdfd
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
150.0 9652.0 62
151.0 154540.0 999
//