ACCESSION: MSBNK-RIKEN_ReSpect-PS125401
RECORD_TITLE: Kappaxin, Kayklot, Karcon, Klottone, Aquinone, Prokayvit, Menadion, Mitenon, Menaphthon, Aquakay, Kanone, 2-Methylnaphthoquinone, Thyloquinone, 2-Methyl-1,4-dihydronaphthalene-1,4-dione, Menaphthone, Kappaxan, Menadione, Kipca, Vitamin K3, 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene, Memodol, Panosine, Kareon, Menaquinone, MNQ, Kayquinone, 2-Methyl-1,4-naphthalenedione, beta-Methyl-1,4-naphthoquinone, 2-Methyl-1,4-naphthoquinone, Hemodal; 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 Wako, 134-08131 .
COMMENT: PRIMe compound in-house ID V0128
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$NAME: Kappaxin
CH$NAME: Kayklot
CH$NAME: Karcon
CH$NAME: Klottone
CH$NAME: Aquinone
CH$NAME: Prokayvit
CH$NAME: Menadion
CH$NAME: Mitenon
CH$NAME: Menaphthon
CH$NAME: Aquakay
CH$NAME: Kanone
CH$NAME: 2-Methylnaphthoquinone
CH$NAME: Thyloquinone
CH$NAME: 2-Methyl-1,4-dihydronaphthalene-1,4-dione
CH$NAME: Menaphthone
CH$NAME: Kappaxan
CH$NAME: Menadione
CH$NAME: Kipca
CH$NAME: Vitamin K3
CH$NAME: 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene
CH$NAME: Memodol
CH$NAME: Panosine
CH$NAME: Kareon
CH$NAME: Menaquinone
CH$NAME: MNQ
CH$NAME: Kayquinone
CH$NAME: 2-Methyl-1,4-naphthalenedione
CH$NAME: beta-Methyl-1,4-naphthoquinone
CH$NAME: 2-Methyl-1,4-naphthoquinone
CH$NAME: Hemodal
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C11H8O2
CH$EXACT_MASS: 172.183
CH$SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O
CH$IUPAC: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
CH$LINK: CAS
58-27-5
CH$LINK: KEGG
C05377
CH$LINK: PUBCHEM
CID:4055
CH$LINK: INCHIKEY
MJVAVZPDRWSRRC-UHFFFAOYSA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 173.21
PK$SPLASH: splash10-00di-0900000000-abfd0637746f04c58db2
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
173.0 102356.0 999
//
