MassBank Record: TT000133



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

ACCESSION: TT000133
RECORD_TITLE: beta,gamma-Dehydrocurvularin; EI-B; 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$NAME: beta,gamma-Dehydrocurvularin CH$NAME: (4S,7E)-4beta-Methyl-11,13-dihydroxy-1,4,5,6,9,10-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]1CC/C=C/CC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O CH$IUPAC: InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h2,4,7,9-10,17,19H,3,5-6,8H2,1H3/b4-2+/t10-/m0/s1 CH$LINK: NIKKAJI J1.929.029H CH$LINK: INCHIKEY ZWRCIODUEDCNMZ-YWNRKNDBSA-N CH$LINK: PUBCHEM CID:134785854
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 288.0760
PK$SPLASH: splash10-000i-3690000000-8c99655e0767b6a440c3 PK$NUM_PEAK: 298 PK$PEAK: m/z int. rel.int. 40.0 12 12 41.0 78 78 42.0 23 23 43.1 77 77 43.9 38 38 45.0 16 16 46.1 2 2 47.1 2 2 48.0 1 1 49.0 1 1 50.1 15 15 51.0 47 47 52.0 22 22 52.9 32 32 54.0 10 10 55.1 100 100 56.0 36 36 57.1 24 24 57.5 1 1 58.0 6 6 59.0 6 6 59.9 20 20 61.0 4 4 62.0 10 10 63.0 31 31 64.0 16 16 65.0 60 60 65.5 1 1 65.9 29 29 67.0 24 24 67.9 6 6 69.0 87 87 70.0 9 9 71.1 14 14 72.0 2 2 72.9 20 20 73.5 1 1 74.0 9 9 75.0 19 19 76.0 18 18 77.0 101 101 78.1 47 47 79.1 35 35 79.6 1 1 80.1 9 9 80.5 1 1 81.0 19 19 82.0 8 8 83.1 101 101 84.0 12 12 85.0 20 20 86.0 4 4 87.1 10 10 88.0 12 12 88.5 1 1 89.1 30 30 90.0 16 16 91.0 94 94 92.0 14 14 93.0 18 18 93.5 5 5 94.0 18 18 95.0 15 15 95.5 1 1 96.0 7 7 97.0 19 19 98.1 9 9 99.1 5 5 99.5 1 1 100.1 4 4 100.6 1 1 101.0 11 11 102.1 24 24 102.6 1 1 103.1 41 41 103.5 1 1 104.1 14 14 105.0 27 27 106.1 29 29 107.1 35 35 108.1 10 10 109.2 22 22 109.6 3 3 110.2 4 4 111.1 18 18 112.1 29 29 113.1 6 6 114.0 4 4 115.1 52 52 115.5 2 2 116.0 15 15 117.0 11 11 117.9 20 20 119.0 24 24 120.1 19 19 120.9 53 53 122.1 34 34 123.0 29 29 124.1 7 7 125.0 2 2 126.1 2 2 127.0 12 12 128.1 16 16 129.1 16 16 130.1 10 10 131.0 45 45 132.0 21 21 133.0 40 40 134.0 66 66 135.0 72 72 135.9 54 54 137.0 13 13 137.9 18 18 139.0 12 12 140.0 2 2 140.9 8 8 141.9 4 4 143.0 5 5 144.1 10 10 145.0 15 15 146.0 23 23 147.0 64 64 148.1 43 43 149.0 112 112 150.0 116 116 151.0 81 81 152.0 9 9 153.0 4 4 155.0 4 4 156.0 2 2 157.1 9 9 158.0 6 6 159.0 25 25 159.9 33 33 161.0 53 53 162.0 163 163 163.1 161 161 164.0 66 66 165.0 18 18 166.0 17 17 167.0 73 73 168.0 13 13 169.1 3 3 170.0 2 2 171.0 11 11 172.1 10 10 173.0 29 29 174.0 34 34 175.0 54 54 176.0 102 102 177.0 193 193 178.0 184 184 179.0 63 63 179.9 9 9 181.0 4 4 182.0 2 2 183.0 2 2 184.0 4 4 185.0 13 13 186.0 10 10 187.0 49 49 188.0 22 22 189.1 45 45 190.0 36 36 191.1 18 18 192.0 29 29 193.0 228 228 194.1 26 26 195.0 45 45 196.0 4 4 196.9 5 5 198.1 3 3 199.0 11 11 200.1 38 38 201.0 38 38 202.0 17 17 202.9 31 31 204.0 209 209 205.0 441 441 206.0 140 140 207.0 75 75 208.0 23 23 209.0 5 5 210.1 2 2 211.0 2 2 212.1 2 2 213.1 13 13 213.9 12 12 215.1 36 36 215.9 79 79 217.0 69 69 218.1 68 68 219.0 33 33 220.0 6 6 221.0 19 19 222.0 365 365 223.1 52 52 224.0 9 9 225.0 4 4 226.0 2 2 227.1 27 27 228.0 82 82 228.9 137 137 230.0 29 29 231.0 43 43 232.0 113 113 233.0 30 30 234.0 6 6 234.9 9 9 236.1 27 27 237.0 5 5 238.0 2 2 239.1 1 1 240.0 2 2 241.0 21 21 242.0 37 37 243.0 75 75 244.0 61 61 244.9 33 33 246.0 21 21 246.9 29 29 247.9 6 6 248.9 4 4 249.8 14 14 251.0 4 4 251.9 25 25 253.0 3 3 254.1 1 1 254.9 50 50 256.2 11 11 257.0 4 4 257.9 8 8 259.1 16 16 260.1 7 7 261.1 11 11 262.0 3 3 263.0 1 1 264.0 3 3 266.1 1 1 267.0 2 2 268.1 3 3 269.0 34 34 270.1 148 148 271.0 29 29 272.0 5 5 272.9 74 74 274.0 25 25 275.0 4 4 275.9 5 5 277.0 1 1 278.0 6 6 279.1 2 2 281.0 4 4 282.0 1 1 283.0 1 1 284.1 8 8 285.1 5 5 286.0 29 29 287.0 13 13 288.1 999 999 288.9 187 187 290.0 27 27 291.1 5 5 292.1 1 1 293.2 4 4 295.0 2 2 296.0 1 1 297.0 1 1 300.0 2 2 300.9 1 1 301.9 7 7 303.0 2 2 304.0 6 6 305.1 1 1 306.0 39 39 307.1 7 7 308.1 2 2 311.1 1 1 312.3 1 1 313.0 2 2 315.0 2 2 316.0 1 1 320.0 1 1 321.0 1 1 326.1 2 2 329.1 1 1 330.1 1 1 339.9 1 1 340.9 1 1 343.0 1 1 344.0 28 28 345.1 5 5 346.0 3 3 348.9 1 1 354.2 1 1 355.0 6 6 356.1 1 1 357.0 2 2 //

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