MassBank Record: TT000114



 Vitexicarpin; FAB-EB; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TT000114
RECORD_TITLE: Vitexicarpin; FAB-EB; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: Kimura YFaculty of Agriculture, Tottori University, Inokuchi TFaculty of Agriculture, Tottori University, 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
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 //