ACCESSION: MSBNK-Tottori_Univ-TT000113
RECORD_TITLE: Vitexicarpin; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: Kimura Y, Inokuchi T, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Yoshioka, T., Inokuchi, T., Fujioka, S., and Kimura, Y. 2004. Phenolic Compounds and Flavonoids as Plant Growth Regulators from Fruit and Leaf of Vitex rotundifolia. Z. Naturforsch. 59c:509-514. doi:10.1515/znc-2004-7-810
COMMENT: [Analytical] Sample was directly injected

CH$NAME: Vitexicarpin
CH$NAME: 3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone
CH$NAME: Casticin
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C₁₉H₁₈O₈
CH$EXACT_MASS: 374.10017
CH$SMILES: COc(c3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(OC)c(OC)2)1
CH$IUPAC: InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
CH$LINK: CHEMSPIDER 4474632
CH$LINK: NIKKAJI J94.548J
CH$LINK: PUBCHEM CID:5315263
CH$LINK: INCHIKEY PJQLSMYMOKWUJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80197326

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL 70 eV

MS$FOCUSED_ION: BASE_PEAK 375.0324

PK$SPLASH: splash10-05fr-0219000000-b10838d2170a87f5e165
PK$NUM_PEAK: 366
PK$PEAK: m/z int. rel.int.
  41.0 5 5
  42.0 1 1
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  43.9 8 8
  45.0 1 1
  50.1 2 2
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  389.2 1 1
  390.1 2 2
//