MassBank Record: TT000113



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

ACCESSION: TT000113
RECORD_TITLE: Vitexicarpin; EI-B; 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$INSTRUMENT: Unknown AC$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 42.9 8 8 43.9 8 8 45.0 1 1 50.1 2 2 50.9 5 5 51.9 4 4 53.0 6 6 54.0 2 2 54.9 4 4 56.0 2 2 57.0 4 4 58.9 6 6 59.9 1 1 61.9 2 2 62.8 6 6 63.8 3 3 64.9 7 7 66.0 6 6 67.0 3 3 69.1 24 24 70.0 1 1 71.0 2 2 73.0 2 2 74.1 1 1 75.0 4 4 75.9 3 3 77.0 10 10 78.0 3 3 79.0 4 4 79.9 3 3 81.0 3 3 81.9 3 3 83.0 2 2 84.1 1 1 85.0 4 4 87.0 2 2 88.0 1 1 88.9 5 5 90.0 2 2 91.0 14 14 91.9 8 8 92.9 10 10 94.0 3 3 95.0 3 3 96.1 1 1 97.1 2 2 98.0 1 1 99.0 2 2 99.9 2 2 101.0 2 2 102.0 3 3 103.0 3 3 103.9 4 4 104.9 7 7 106.0 2 2 106.9 4 4 107.9 10 10 108.5 1 1 108.9 8 8 110.0 2 2 111.0 1 1 111.9 2 2 112.5 1 1 112.9 4 4 113.5 1 1 114.0 2 2 115.0 6 6 115.5 1 1 116.0 1 1 117.0 4 4 118.0 3 3 119.0 6 6 119.9 10 10 120.4 4 4 121.0 14 14 121.5 1 1 122.0 5 5 122.5 2 2 123.0 10 10 124.0 3 3 124.9 8 8 126.0 3 3 126.5 3 3 127.0 2 2 127.4 2 2 127.9 13 13 128.4 3 3 128.9 5 5 129.4 1 1 129.9 4 4 131.0 3 3 131.9 4 4 132.9 7 7 133.4 2 2 134.0 7 7 134.5 2 2 135.1 29 29 135.5 4 4 135.9 13 13 136.4 4 4 137.0 10 10 138.1 2 2 139.0 2 2 140.1 1 1 140.5 4 4 141.0 3 3 141.5 3 3 142.1 37 37 142.5 8 8 143.0 5 5 143.4 2 2 143.9 21 21 144.4 4 4 145.0 6 6 145.9 4 4 147.0 6 6 147.9 6 6 148.5 2 2 149.0 31 31 149.5 7 7 150.0 7 7 150.5 2 2 151.0 58 58 152.1 8 8 153.0 47 47 154.0 5 5 155.0 4 4 156.0 5 5 156.5 3 3 157.0 10 10 157.6 2 2 158.0 19 19 158.6 2 2 159.0 5 5 160.1 5 5 161.0 21 21 162.0 5 5 163.1 22 22 163.5 2 2 164.0 58 58 164.6 2 2 164.9 10 10 165.5 10 10 166.0 4 4 167.0 12 12 168.0 3 3 168.5 1 1 169.0 2 2 169.5 1 1 169.9 2 2 171.0 10 10 171.5 2 2 172.0 4 4 172.5 1 1 173.0 44 44 173.5 6 6 174.1 5 5 175.0 16 16 175.9 6 6 176.5 1 1 177.0 10 10 177.9 16 16 179.0 8 8 179.5 8 8 179.9 3 3 181.0 42 42 181.9 6 6 182.9 2 2 184.0 2 2 185.0 3 3 186.0 4 4 187.0 28 28 187.4 4 4 187.9 5 5 189.0 5 5 190.0 2 2 190.9 2 2 191.9 2 2 192.9 13 13 193.9 2 2 194.9 5 5 196.0 5 5 196.9 12 12 198.0 3 3 199.0 4 4 199.9 4 4 201.0 5 5 201.8 6 6 202.9 6 6 203.9 5 5 205.0 3 3 206.0 1 1 206.9 4 4 208.0 2 2 209.1 2 2 210.1 1 1 211.0 2 2 212.0 2 2 213.0 4 4 214.0 4 4 214.9 6 6 216.0 2 2 217.0 18 18 217.9 3 3 219.0 2 2 219.9 1 1 221.0 3 3 222.1 24 24 222.9 5 5 224.0 2 2 225.0 2 2 226.0 2 2 226.9 4 4 228.0 5 5 229.0 7 7 229.9 4 4 231.0 15 15 232.0 3 3 233.0 1 1 234.0 4 4 235.0 4 4 235.9 4 4 237.0 1 1 237.9 1 1 239.0 3 3 240.0 2 2 241.0 4 4 241.9 6 6 242.9 8 8 244.0 6 6 244.9 21 21 245.9 4 4 247.0 2 2 248.1 2 2 249.1 3 3 250.1 2 2 251.1 5 5 252.0 2 2 253.0 4 4 254.0 2 2 255.0 4 4 255.9 6 6 257.0 8 8 258.0 4 4 259.0 8 8 260.0 10 10 261.1 2 2 262.0 3 3 263.1 2 2 264.0 1 1 265.0 2 2 265.9 2 2 266.9 2 2 268.0 3 3 268.9 5 5 269.9 9 9 270.8 12 12 271.8 5 5 273.0 36 36 273.9 6 6 275.0 2 2 276.1 2 2 277.1 1 1 278.0 2 2 279.1 2 2 280.1 7 7 281.0 10 10 282.0 4 4 282.9 8 8 283.9 8 8 285.0 18 18 286.0 6 6 286.9 12 12 287.9 17 17 289.0 4 4 290.1 1 1 292.0 1 1 293.1 1 1 294.0 2 2 295.1 6 6 296.0 5 5 297.0 9 9 298.1 10 10 298.9 16 16 300.0 10 10 301.1 36 36 302.0 8 8 303.0 5 5 303.9 2 2 306.1 1 1 306.8 2 2 307.8 3 3 308.9 8 8 309.9 6 6 310.8 8 8 311.9 9 9 313.0 43 43 313.9 20 20 314.8 21 21 316.0 47 47 316.9 9 9 318.2 4 4 319.0 2 2 320.2 1 1 321.0 2 2 322.0 2 2 323.0 2 2 323.9 2 2 324.9 16 16 326.1 22 22 327.1 42 42 328.0 30 30 329.0 51 51 329.9 18 18 331.0 105 105 331.9 20 20 333.1 2 2 334.0 2 2 336.0 33 33 336.8 10 10 337.9 23 23 339.2 24 24 340.0 11 11 341.1 41 41 342.0 11 11 343.1 33 33 344.1 24 24 345.0 45 45 346.1 11 11 347.1 2 2 348.2 1 1 349.9 63 63 350.9 16 16 352.0 42 42 352.9 10 10 353.8 8 8 355.2 195 195 356.0 81 81 356.9 51 51 358.0 19 19 359.0 513 513 359.9 101 101 360.9 17 17 362.1 2 2 364.1 2 2 367.9 16 16 368.8 2 2 369.8 9 9 371.0 3 3 372.0 2 2 373.1 378 378 374.0 999 999 375.2 200 200 376.2 38 38 377.0 4 4 381.9 27 27 382.9 4 4 383.9 18 18 384.9 3 3 386.0 3 3 387.1 1 1 388.1 2 2 389.2 1 1 390.1 2 2 //