MassBank Record: TT000154



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

ACCESSION: TT000154
RECORD_TITLE: alpha,beta-Dehydrocurvularin; 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$NAME: alpha,beta-Dehydrocurvularin CH$NAME: (4S,8E)-4beta-Methyl-11,13-dihydroxy-1,4,5,6,7,10-hexahydro-2H-3-benzoxacyclododecin-2,10-dione CH$COMPOUND_CLASS: Natural Product; Curvularin CH$FORMULA: C16H18O5 CH$EXACT_MASS: 290.11542 CH$SMILES: C[C@H]1CCC/C=C/C(=O)C2=C(C=C(C=C2CC(=O)O1)O)O CH$IUPAC: InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1 CH$LINK: CHEMSPIDER 4942635 CH$LINK: NIKKAJI J1.002.893K CH$LINK: PUBCHEM CID:6438143 CH$LINK: INCHIKEY AVIRMQMUBGNCKS-RWCYGVJQSA-N
AC$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$FOCUSED_ION: BASE_PEAK 291.1699
PK$SPLASH: splash10-0006-5971000000-e71ed60c60d5a05326ff PK$NUM_PEAK: 369 PK$PEAK: m/z int. rel.int. 15.4 2 2 19.4 13 13 27.4 5 5 28.3 3 3 29.4 24 24 30.4 1 1 31.3 14 14 39.4 6 6 41.4 13 13 42.2 3 3 43.5 35 35 44.3 5 5 45.3 64 64 46.4 1 1 47.3 5 5 51.3 1 1 53.3 5 5 54.3 12 12 55.3 23 23 56.3 9 9 57.3 130 130 58.3 12 12 59.3 11 11 60.4 4 4 60.8 1 1 61.2 16 16 65.2 3 3 66.3 2 2 67.2 12 12 68.3 2 2 69.3 12 12 70.2 2 2 71.2 11 11 72.1 4 4 73.2 27 27 74.3 24 24 75.3 290 290 76.2 11 11 77.2 8 8 78.2 1 1 79.2 6 6 80.3 1 1 81.2 29 29 82.3 3 3 83.2 8 8 84.2 2 2 85.3 19 19 86.2 3 3 87.2 15 15 88.2 2 2 89.2 7 7 90.2 7 7 91.2 15 15 92.2 2 2 93.2 584 584 94.2 24 24 95.2 45 45 96.2 39 39 97.2 11 11 98.2 2 2 99.1 16 16 100.2 3 3 101.2 9 9 102.1 1 1 103.2 54 54 104.1 4 4 105.0 13 13 106.1 3 3 107.1 8 8 108.1 1 1 109.1 6 6 110.1 4 4 111.0 8 8 112.1 2 2 113.1 6 6 114.1 2 2 115.1 18 18 116.1 7 7 117.1 151 151 118.1 10 10 119.1 37 37 120.1 5 5 121.1 16 16 122.0 6 6 123.1 32 32 124.2 4 4 125.0 4 4 126.1 1 1 127.0 6 6 128.0 4 4 129.0 52 52 130.1 11 11 131.1 58 58 132.1 10 10 133.1 29 29 134.0 9 9 135.0 64 64 136.0 8 8 137.1 15 15 138.1 4 4 139.0 14 14 140.1 3 3 141.1 6 6 142.2 2 2 143.1 6 6 144.1 4 4 145.0 25 25 146.1 8 8 147.1 53 53 148.0 14 14 149.1 321 321 150.0 44 44 151.0 45 45 152.1 11 11 153.0 7 7 154.1 2 2 155.1 4 4 156.2 1 1 157.2 5 5 158.1 2 2 159.1 6 6 160.1 5 5 161.0 21 21 162.1 6 6 163.1 24 24 164.1 11 11 165.1 78 78 166.1 30 30 167.0 110 110 168.1 18 18 169.1 16 16 170.1 3 3 171.1 7 7 172.1 2 2 173.0 10 10 174.1 5 5 175.1 12 12 176.0 19 19 177.1 43 43 178.0 9 9 179.0 29 29 180.1 5 5 181.1 20 20 182.1 6 6 183.0 12 12 184.0 3 3 185.1 629 629 186.1 48 48 187.1 26 26 188.2 5 5 189.1 17 17 190.1 8 8 191.1 14 14 192.1 8 8 193.1 20 20 194.0 58 58 195.1 207 207 196.0 24 24 197.2 59 59 198.1 7 7 199.0 8 8 200.1 3 3 201.1 8 8 202.1 5 5 203.1 22 22 204.1 7 7 205.1 25 25 206.1 6 6 207.0 19 19 208.0 5 5 209.1 8 8 210.1 4 4 211.0 6 6 212.1 4 4 213.0 6 6 214.2 8 8 215.1 11 11 216.2 4 4 217.1 8 8 218.1 4 4 219.1 13 13 220.2 4 4 221.1 34 34 222.0 6 6 223.1 14 14 224.1 4 4 225.0 8 8 226.1 3 3 227.1 49 49 228.0 7 7 229.1 8 8 230.1 4 4 231.1 13 13 232.1 8 8 233.1 10 10 234.0 4 4 235.1 7 7 236.2 2 2 237.1 13 13 238.2 4 4 239.2 16 16 240.2 4 4 241.2 140 140 242.1 16 16 243.1 16 16 244.2 6 6 245.2 13 13 246.2 4 4 247.2 19 19 248.1 6 6 249.2 8 8 250.2 3 3 251.1 6 6 252.1 2 2 253.1 16 16 254.2 4 4 255.2 11 11 256.3 10 10 257.2 46 46 258.1 6 6 259.1 8 8 260.1 3 3 261.1 7 7 262.1 4 4 263.1 9 9 264.2 4 4 265.2 5 5 266.1 2 2 267.2 4 4 268.2 2 2 269.1 8 8 270.1 3 3 271.2 8 8 272.2 4 4 273.2 49 49 274.2 14 14 275.1 24 24 276.2 6 6 277.2 39 39 278.2 6 6 279.2 11 11 280.2 3 3 281.2 4 4 282.3 3 3 283.1 14 14 284.3 17 17 285.3 6 6 286.3 2 2 287.2 10 10 288.2 20 20 289.2 73 73 290.2 90 90 291.2 999 999 292.2 207 207 293.2 52 52 294.3 9 9 295.2 7 7 296.3 3 3 297.2 23 23 298.2 4 4 299.2 9 9 300.2 3 3 301.1 7 7 302.2 3 3 303.1 9 9 304.2 8 8 305.1 24 24 306.1 13 13 307.1 32 32 308.1 8 8 309.1 6 6 310.2 3 3 311.1 4 4 312.3 17 17 313.2 24 24 314.2 5 5 315.1 8 8 316.2 3 3 317.1 6 6 318.1 2 2 319.1 10 10 320.2 4 4 321.1 8 8 322.2 4 4 323.2 12 12 324.2 6 6 325.1 4 4 326.3 2 2 327.1 5 5 328.2 2 2 329.1 11 11 330.1 4 4 331.2 11 11 332.2 3 3 333.1 13 13 334.2 3 3 335.2 6 6 336.2 2 2 337.2 4 4 338.1 2 2 339.2 4 4 340.1 2 2 341.2 3 3 342.2 2 2 343.3 4 4 344.3 1 1 345.2 10 10 346.2 3 3 347.2 7 7 348.3 3 3 349.2 10 10 350.2 3 3 351.2 4 4 352.3 2 2 353.2 4 4 354.2 1 1 355.3 3 3 356.3 1 1 357.2 3 3 358.3 1 1 359.2 3 3 360.2 1 1 361.2 5 5 362.2 1 1 363.1 6 6 364.2 4 4 365.1 9 9 366.0 4 4 367.2 7 7 368.3 3 3 369.2 10 10 370.2 3 3 371.1 6 6 372.2 2 2 373.1 4 4 374.2 2 2 375.2 6 6 376.2 2 2 377.2 4 4 378.3 2 2 379.2 4 4 380.1 4 4 381.2 8 8 382.2 5 5 383.2 60 60 384.2 15 15 385.2 7 7 386.2 3 3 387.2 4 4 388.3 1 1 389.3 4 4 390.2 2 2 391.3 8 8 392.4 2 2 393.2 4 4 394.2 2 2 395.3 4 4 396.2 2 2 397.3 4 4 398.3 2 2 399.3 5 5 401.3 4 4 402.4 1 1 403.2 4 4 404.3 2 2 405.2 7 7 406.4 2 2 407.3 7 7 408.2 3 3 //

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