ACCESSION: MSBNK-Tottori_Univ-TT000114
RECORD_TITLE: Vitexicarpin; FAB-EB; 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$INSTRUMENT: JEOL JMS-HX 110
AC$INSTRUMENT_TYPE: FAB-EB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB

MS$FOCUSED_ION: BASE_PEAK 375.0376

PK$SPLASH: splash10-004i-0009000000-8a49605ecdae8885c643
PK$NUM_PEAK: 163
PK$PEAK: m/z int. rel.int.
  274.1 1 1
  275.1 3 3
  277.1 37 37
  278.1 4 4
  279.1 3 3
  280.1 1 1
  281.0 2 2
  282.0 1 1
  283.0 3 3
  284.0 2 2
  285.1 4 4
  286.1 2 2
  287.0 4 4
  288.1 2 2
  289.1 2 2
  290.1 1 1
  293.0 1 1
  294.0 1 1
  295.0 2 2
  295.9 2 2
  297.0 3 3
  298.0 2 2
  299.0 7 7
  300.0 3 3
  301.0 8 8
  301.9 3 3
  302.9 3 3
  303.9 1 1
  304.9 1 1
  305.9 1 1
  307.1 1 1
  308.1 2 2
  309.1 1 1
  310.0 3 3
  311.0 5 5
  312.0 4 4
  313.0 8 8
  314.0 5 5
  315.1 9 9
  316.0 5 5
  317.0 18 18
  318.1 4 4
  319.1 2 2
  320.2 1 1
  321.2 1 1
  323.1 1 1
  324.1 1 1
  325.0 4 4
  326.0 4 4
  327.0 9 9
  328.0 6 6
  328.9 15 15
  330.0 7 7
  331.0 14 14
  332.0 4 4
  333.2 3 3
  334.1 1 1
  335.2 1 1
  336.1 2 2
  337.1 3 3
  338.1 3 3
  339.0 4 4
  340.0 2 2
  341.0 8 8
  342.0 5 5
  343.0 17 17
  344.0 15 15
  345.1 48 48
  346.0 14 14
  347.1 7 7
  348.1 1 1
  349.1 1 1
  350.1 1 1
  351.1 1 1
  352.0 1 1
  353.0 2 2
  354.1 1 1
  355.0 14 14
  356.1 6 6
  357.0 17 17
  358.0 12 12
  359.0 76 76
  360.0 40 40
  361.0 48 48
  362.0 11 11
  363.0 3 3
  364.0 1 1
  366.1 1 1
  367.2 1 1
  368.1 2 2
  369.0 12 12
  370.1 3 3
  371.0 8 8
  372.0 9 9
  373.0 71 71
  374.1 220 220
  375.0 999 999
  376.1 269 269
  377.0 53 53
  378.0 7 7
  379.1 1 1
  383.1 1 1
  384.0 1 1
  385.1 2 2
  386.0 1 1
  387.0 12 12
  388.0 6 6
  389.1 12 12
  389.9 4 4
  391.0 7 7
  392.1 2 2
  393.1 1 1
  397.0 2 2
  399.1 1 1
  400.1 1 1
  401.0 9 9
  401.9 3 3
  403.0 7 7
  404.0 3 3
  405.0 6 6
  406.2 1 1
  406.9 1 1
  413.0 1 1
  415.2 1 1
  416.1 2 2
  417.1 3 3
  418.1 1 1
  419.1 4 4
  420.2 1 1
  421.1 1 1
  425.2 1 1
  429.2 1 1
  431.1 2 2
  432.1 1 1
  433.1 3 3
  434.2 8 8
  435.1 7 7
  436.1 5 5
  437.1 2 2
  447.0 3 3
  448.1 1 1
  449.1 7 7
  450.0 2 2
  451.0 1 1
  452.0 1 1
  454.2 1 1
  461.1 3 3
  462.2 1 1
  463.1 2 2
  464.2 1 1
  465.1 6 6
  466.1 2 2
  467.1 5 5
  468.1 1 1
  478.1 1 1
  479.1 2 2
  480.1 1 1
  489.1 1 1
  494.1 1 1
  496.2 9 9
  497.2 4 4
  498.1 1 1
  553.2 1 1
//