MassBank Record: TT000149



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

ACCESSION: TT000149
RECORD_TITLE: 8-beta-Hydroxy-oxocurvularin; FAB-EB; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: Kimura YFaculty of Agriculture, Tottori University, Kusano MFaculty of Agriculture, Tottori University, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Kusano, M., Nakagami, K., Fujioka, S., Kawano, T., Shimada, A., and Kimura, Y. 2003. beta,gamma-Dehydrocurvularin and Related Compounds as Nematicides of Pratylenchus penetrans from the Fungus Aspergillus sp. Biosci. Biotechnol. Biochem., 67 (6):1413 -1416.
COMMENT: [Analytical] Sample was directly injected

CH$NAME: 8-beta-Hydroxy-oxocurvularin CH$COMPOUND_CLASS: Natural Product; Curvularin CH$FORMULA: C16H18O7 CH$EXACT_MASS: 322.10525 CH$SMILES: C[C@H]1CCC(=O)[C@H](CC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O)O CH$IUPAC: InChI=1S/C16H18O7/c1-8-2-3-11(18)12(19)7-14(21)16-9(5-15(22)23-8)4-10(17)6-13(16)20/h4,6,8,12,17,19-20H,2-3,5,7H2,1H3/t8-,12-/m0/s1 CH$LINK: NIKKAJI J1.929.030A CH$LINK: INCHIKEY PCSBVPMYIHSHPB-UFBFGSQYSA-N CH$LINK: PUBCHEM CID:14582210
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: FAB-EB AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION FAB
MS$FOCUSED_ION: BASE_PEAK 93.2133
PK$SPLASH: splash10-004u-9752000000-da925f0185cd0b51efcd PK$NUM_PEAK: 457 PK$PEAK: m/z int. rel.int. 15.3 6 6 18.3 1 1 19.4 69 69 26.3 1 1 27.4 12 12 28.4 10 10 29.4 72 72 30.4 3 3 31.0 49 49 32.5 2 2 33.4 2 2 39.3 7 7 41.3 15 15 42.4 5 5 43.3 41 41 44.3 17 17 45.5 304 304 46.4 7 7 47.4 25 25 49.5 3 3 53.3 2 2 55.4 19 19 56.3 43 43 57.3 467 467 58.2 29 29 59.3 14 14 60.3 15 15 60.8 10 10 61.3 44 44 62.2 1 1 63.3 1 1 67.2 3 3 68.3 1 1 69.2 10 10 70.2 4 4 71.3 14 14 72.1 17 17 73.1 62 62 74.3 130 130 75.3 981 981 76.2 35 35 77.3 11 11 79.2 2 2 81.2 5 5 82.3 1 1 83.2 8 8 84.3 2 2 85.2 8 8 86.3 8 8 87.2 17 17 88.3 4 4 89.1 14 14 90.3 43 43 91.2 19 19 92.4 2 2 93.2 999 999 94.4 181 181 95.4 41 41 96.2 2 2 97.2 6 6 98.3 2 2 99.2 23 23 100.2 6 6 101.2 11 11 102.2 2 2 103.2 20 20 104.1 2 2 105.1 12 12 106.2 2 2 107.2 23 23 108.1 2 2 109.1 3 3 110.1 5 5 111.1 6 6 112.0 3 3 113.2 10 10 114.2 3 3 115.0 70 70 116.1 7 7 117.2 59 59 118.1 6 6 119.1 31 31 120.2 3 3 121.1 6 6 122.1 3 3 123.1 22 22 123.7 10 10 125.0 4 4 126.2 1 1 127.1 3 3 128.2 2 2 129.1 34 34 130.1 22 22 131.2 74 74 132.2 31 31 133.1 15 15 134.1 5 5 135.0 19 19 136.0 5 5 137.2 14 14 138.1 5 5 139.2 5 5 140.2 3 3 141.1 3 3 142.1 2 2 143.2 4 4 144.2 3 3 145.2 9 9 146.1 5 5 147.2 35 35 148.2 12 12 149.2 300 300 150.2 24 24 151.2 15 15 152.3 25 25 153.1 25 25 154.2 3 3 155.1 4 4 156.1 2 2 157.1 4 4 158.1 4 4 159.0 4 4 160.2 6 6 161.1 6 6 162.1 4 4 163.1 12 12 164.1 5 5 165.1 62 62 166.1 40 40 167.3 90 90 168.1 22 22 169.1 16 16 170.1 3 3 171.1 6 6 172.2 2 2 173.1 4 4 174.2 3 3 175.1 11 11 176.2 91 91 177.2 22 22 178.1 8 8 179.2 7 7 180.2 3 3 181.2 8 8 182.2 36 36 183.2 59 59 184.2 7 7 185.2 999 999 186.4 555 555 187.4 138 138 188.2 11 11 189.2 7 7 190.2 7 7 191.2 6 6 192.4 5 5 193.2 7 7 194.2 2 2 195.4 10 10 196.2 3 3 197.3 26 26 198.2 8 8 199.3 27 27 200.3 4 4 201.2 5 5 202.2 4 4 203.2 12 12 204.2 5 5 205.3 12 12 206.3 5 5 207.2 73 73 208.2 15 15 209.2 13 13 210.3 4 4 211.2 15 15 212.2 5 5 213.2 8 8 214.2 3 3 215.2 34 34 216.2 6 6 217.3 4 4 218.1 1 1 219.1 5 5 220.2 3 3 221.2 14 14 222.2 5 5 223.3 50 50 224.3 8 8 225.3 8 8 226.2 3 3 227.3 21 21 228.3 5 5 229.3 12 12 231.2 6 6 232.2 47 47 233.3 8 8 234.3 3 3 235.3 3 3 236.3 1 1 237.3 6 6 238.2 3 3 239.3 16 16 240.2 7 7 241.3 237 237 242.3 28 28 243.4 19 19 244.3 17 17 245.3 26 26 246.4 4 4 247.3 4 4 248.2 2 2 249.4 5 5 250.3 2 2 251.3 3 3 252.3 2 2 253.3 4 4 254.3 2 2 255.3 7 7 256.3 4 4 257.3 41 41 258.3 9 9 259.1 61 61 260.2 12 12 261.2 8 8 262.2 3 3 263.3 5 5 264.2 1 1 265.2 2 2 266.3 1 1 267.3 3 3 268.2 4 4 269.3 4 4 270.3 4 4 271.3 7 7 272.3 2 2 273.3 13 13 274.2 9 9 275.3 49 49 276.3 10 10 277.3 998 998 278.5 124 124 279.5 41 41 280.4 6 6 281.4 4 4 282.5 4 4 283.3 6 6 284.6 4 4 285.4 4 4 286.3 3 3 287.3 25 25 288.3 7 7 289.4 16 16 290.4 5 5 291.4 15 15 292.3 4 4 293.3 4 4 294.3 2 2 295.4 5 5 296.3 2 2 297.4 8 8 298.4 2 2 299.3 15 15 301.3 7 7 302.4 2 2 303.3 8 8 304.3 15 15 305.3 265 265 306.3 64 64 307.3 25 25 308.3 4 4 309.3 4 4 310.4 1 1 311.2 2 2 312.3 2 2 313.4 10 10 314.3 3 3 315.3 21 21 316.3 5 5 317.3 6 6 318.3 3 3 319.3 11 11 320.4 3 3 321.3 6 6 322.4 4 4 323.3 6 6 324.4 38 38 325.4 8 8 326.3 2 2 327.3 6 6 328.2 2 2 329.4 4 4 330.4 2 2 331.4 11 11 332.4 4 4 333.3 51 51 334.4 9 9 335.3 8 8 336.4 5 5 337.4 10 10 338.2 2 2 339.5 2 2 340.4 1 1 341.4 2 2 342.4 1 1 343.4 2 2 344.4 1 1 345.4 3 3 346.4 2 2 347.4 4 4 348.3 2 2 349.5 18 18 350.4 3 3 351.3 14 14 352.3 3 3 353.5 4 4 354.4 1 1 355.4 2 2 356.3 1 1 357.4 2 2 358.4 1 1 359.4 2 2 360.4 1 1 361.4 2 2 362.4 2 2 363.4 5 5 364.3 2 2 365.4 7 7 366.3 3 3 367.4 20 20 368.3 4 4 369.4 333 333 370.3 49 49 371.3 18 18 372.4 3 3 373.3 3 3 374.3 2 2 375.3 3 3 376.4 2 2 377.2 3 3 378.4 1 1 379.2 5 5 380.3 4 4 381.4 5 5 382.3 2 2 383.4 5 5 384.3 3 3 385.3 3 3 386.4 1 1 387.3 2 2 388.3 1 1 389.2 4 4 390.2 1 1 391.3 8 8 392.3 2 2 393.2 3 3 394.4 1 1 395.4 3 3 396.4 5 5 397.3 55 55 398.3 16 16 399.4 9 9 400.5 1 1 401.5 1 1 402.4 1 1 403.5 2 2 404.3 1 1 405.4 5 5 406.4 1 1 407.3 7 7 408.4 2 2 409.4 3 3 410.4 1 1 411.4 4 4 412.3 2 2 413.4 3 3 414.3 2 2 415.5 3 3 416.3 9 9 417.5 2 2 418.3 1 1 419.4 3 3 420.4 1 1 421.4 2 2 422.3 1 1 423.4 5 5 424.4 1 1 425.4 20 20 426.3 5 5 427.3 4 4 428.4 3 3 429.4 5 5 430.3 2 2 431.4 1 1 432.3 1 1 433.3 1 1 434.4 1 1 435.3 1 1 436.3 1 1 437.5 1 1 438.4 1 1 439.4 2 2 440.3 1 1 441.4 7 7 442.3 3 3 443.4 7 7 444.3 2 2 445.4 2 2 446.4 1 1 447.4 1 1 448.3 1 1 449.4 1 1 451.5 1 1 452.4 1 1 453.4 4 4 454.4 2 2 455.5 3 3 456.5 1 1 457.4 3 3 458.5 2 2 459.3 11 11 460.4 2 2 461.4 116 116 462.4 20 20 463.4 8 8 464.4 1 1 465.5 1 1 467.4 1 1 468.5 1 1 469.5 2 2 471.5 3 3 472.5 1 1 473.5 2 2 474.4 2 2 475.4 3 3 476.3 1 1 477.3 2 2 479.5 1 1 481.5 1 1 482.4 1 1 483.3 3 3 484.5 1 1 485.4 2 2 486.4 1 1 487.4 3 3 488.3 2 2 489.4 17 17 490.4 5 5 491.5 4 4 492.4 1 1 493.4 1 1 495.4 1 1 497.5 2 2 498.6 1 1 499.4 3 3 500.6 1 1 501.6 1 1 502.6 1 1 503.6 3 3 //

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