MassBank Record: TT000148



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

ACCESSION: TT000148
RECORD_TITLE: 8-beta-Hydroxy-oxocurvularin; 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$NAME: 8-beta-Hydroxy-oxocurvularin CH$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$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL 70 eV
MS$FOCUSED_ION: BASE_PEAK 174.8228
PK$SPLASH: splash10-0fi3-4921000000-c70c74e8886b26cf8bee PK$NUM_PEAK: 349 PK$PEAK: m/z int. rel.int. 40.5 10 10 41.1 196 196 42.0 57 57 43.1 162 162 43.9 839 839 44.9 40 40 45.7 3 3 46.1 8 8 47.0 6 6 47.7 2 2 48.3 3 3 50.0 34 34 51.1 77 77 51.6 3 3 52.1 23 23 53.1 50 50 54.1 28 28 54.5 1 1 55.1 219 219 55.6 5 5 56.0 50 50 57.1 68 68 58.0 9 9 59.1 30 30 60.0 39 39 60.9 10 10 62.0 24 24 62.3 3 3 62.9 61 61 63.9 20 20 64.9 92 92 65.4 4 4 66.0 28 28 66.9 28 28 68.0 15 15 68.6 4 4 68.9 116 116 69.9 19 19 71.0 24 24 72.0 20 20 72.9 40 40 73.9 19 19 74.4 1 1 74.9 23 23 75.6 3 3 75.8 48 48 76.9 148 148 78.0 45 45 78.9 30 30 79.3 7 7 79.8 8 8 80.9 34 34 82.0 21 21 82.9 79 79 84.0 13 13 84.9 25 25 85.9 10 10 86.8 19 19 87.4 6 6 87.9 21 21 88.4 2 2 88.9 20 20 89.9 15 15 90.3 1 1 90.9 112 112 91.4 2 2 91.9 28 28 92.9 24 24 93.4 3 3 93.9 34 34 94.9 53 53 96.1 15 15 97.0 49 49 97.9 27 27 98.9 16 16 99.3 3 3 100.0 9 9 100.5 2 2 100.9 21 21 101.4 7 7 101.7 4 4 102.0 46 46 102.9 19 19 103.4 3 3 103.9 20 20 104.9 122 122 105.9 122 122 106.4 4 4 106.9 51 51 108.0 13 13 108.9 20 20 110.0 8 8 110.9 22 22 111.9 7 7 113.1 6 6 113.9 5 5 114.9 28 28 115.3 5 5 116.0 14 14 116.9 10 10 117.9 32 32 118.9 66 66 119.8 88 88 120.9 244 244 121.2 6 6 121.8 51 51 122.9 13 13 123.9 4 4 124.9 8 8 125.9 7 7 126.3 2 2 126.9 10 10 127.5 1 1 127.9 13 13 128.9 19 19 129.8 19 19 130.8 39 39 131.5 2 2 131.9 17 17 132.8 19 19 133.8 60 60 134.8 90 90 135.5 7 7 135.8 7 7 136.3 5 5 136.9 16 16 137.8 29 29 138.9 12 12 139.8 3 3 140.8 17 17 141.2 3 3 141.8 7 7 142.8 7 7 143.9 5 5 144.9 10 10 145.9 32 32 146.8 219 219 147.2 4 4 147.8 113 113 148.8 65 65 149.8 66 66 150.8 34 34 151.8 7 7 152.8 4 4 153.8 7 7 154.2 6 6 154.8 13 13 155.8 3 3 156.8 15 15 157.7 4 4 158.8 13 13 159.7 129 129 160.7 30 30 161.8 174 174 162.8 313 313 163.7 124 124 164.8 36 36 165.7 7 7 166.4 2 2 166.7 13 13 167.8 4 4 168.8 4 4 169.8 3 3 170.9 12 12 171.3 1 1 171.8 8 8 172.9 14 14 173.9 36 36 174.4 3 3 174.8 999 999 175.4 2 2 175.9 651 651 176.8 871 871 177.8 124 124 178.8 11 11 179.9 7 7 180.8 4 4 182.0 7 7 183.1 9 9 183.9 8 8 184.8 66 66 185.9 19 19 186.8 33 33 187.9 22 22 188.1 3 3 188.8 28 28 189.8 144 144 190.8 41 41 191.9 13 13 192.9 42 42 193.9 7 7 195.0 6 6 195.8 6 6 196.8 21 21 197.8 4 4 198.8 11 11 199.7 10 10 200.5 1 1 200.8 7 7 201.5 10 10 201.7 25 25 202.8 652 652 203.8 198 198 204.8 83 83 205.5 4 4 205.8 7 7 206.7 21 21 207.7 49 49 208.7 13 13 210.7 3 3 211.8 7 7 212.8 14 14 213.7 14 14 214.8 20 20 215.4 1 1 215.7 9 9 216.8 20 20 217.4 1 1 217.7 41 41 218.7 38 38 219.6 5 5 220.6 37 37 221.8 11 11 222.9 4 4 223.8 2 2 224.9 6 6 225.7 3 3 226.7 6 6 227.8 4 4 228.8 11 11 229.3 4 4 229.7 9 9 230.4 4 4 230.8 23 23 231.8 20 20 232.7 22 22 233.4 6 6 233.8 10 10 235.1 9 9 235.6 6 6 236.8 3 3 237.4 1 1 238.1 1 1 238.7 3 3 239.7 3 3 240.9 4 4 241.9 8 8 242.8 18 18 243.8 6 6 244.8 7 7 245.7 1 1 246.2 1 1 246.8 8 8 247.8 4 4 248.8 10 10 249.3 3 3 249.8 9 9 250.5 1 1 250.9 4 4 251.7 4 4 252.4 2 2 252.8 4 4 254.1 1 1 254.7 6 6 256.0 14 14 256.9 4 4 257.8 47 47 258.8 17 17 259.8 64 64 260.7 40 40 261.8 12 12 262.8 2 2 263.2 3 3 264.0 12 12 264.6 3 3 265.1 3 3 266.9 5 5 267.7 3 3 268.9 9 9 270.7 3 3 272.4 2 2 272.9 1 1 273.8 2 2 274.4 1 1 274.9 2 2 275.8 49 49 276.3 7 7 276.7 6 6 277.7 6 6 278.2 1 1 278.9 2 2 279.4 4 4 279.9 3 3 280.7 15 15 281.6 1 1 283.0 1 1 283.3 6 6 283.9 4 4 285.8 44 44 286.4 6 6 286.7 8 8 287.0 5 5 288.0 2 2 288.3 3 3 288.8 10 10 289.8 7 7 290.2 3 3 291.9 6 6 293.5 4 4 294.8 7 7 295.5 1 1 296.2 2 2 297.5 2 2 298.0 3 3 299.4 2 2 299.9 1 1 301.4 1 1 302.8 6 6 303.8 558 558 304.8 112 112 305.7 26 26 306.6 7 7 308.0 3 3 308.7 6 6 313.0 5 5 314.7 2 2 315.2 2 2 315.9 2 2 317.4 2 2 317.8 4 4 319.0 1 1 320.0 1 1 322.8 8 8 324.7 2 2 325.5 1 1 326.6 2 2 327.8 4 4 332.7 1 1 333.8 4 4 336.0 2 2 336.9 1 1 337.3 3 3 338.0 2 2 339.2 5 5 340.0 4 4 340.7 4 4 341.3 2 2 342.1 3 3 342.7 4 4 //

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