MassBank Record: TT000151



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

ACCESSION: TT000151
RECORD_TITLE: 7-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$NAME: 7-Oxocurvularin CH$COMPOUND_CLASS: Natural Product; Curvularin CH$FORMULA: C16H18O6 CH$EXACT_MASS: 306.11034 CH$SMILES: C[C@H]1CCC(=O)CCC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O CH$IUPAC: InChI=1S/C16H18O6/c1-9-2-3-11(17)4-5-13(19)16-10(7-15(21)22-9)6-12(18)8-14(16)20/h6,8-9,18,20H,2-5,7H2,1H3/t9-/m0/s1 CH$LINK: NIKKAJI J1.751.873I CH$LINK: INCHIKEY MFGVWPFVDDUSLL-VIFPVBQESA-N CH$LINK: PUBCHEM CID:14314901
AC$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
PK$SPLASH: splash10-000i-2690000000-3a0c6bdcead3484c2bef PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 40.8 78 78 41.9 25 25 42.9 74 74 43.6 37 37 45.0 12 12 49.9 25 25 50.9 37 37 51.9 20 20 52.8 37 37 54.9 102 102 55.9 37 37 57.0 29 29 60.1 12 12 63.0 25 25 64.0 12 12 65.0 53 53 65.9 29 29 66.8 25 25 68.9 82 82 70.0 8 8 73.1 8 8 75.0 16 16 75.9 20 20 77.0 102 102 78.0 45 45 78.9 29 29 81.1 12 12 83.1 98 98 84.0 8 8 85.0 16 16 88.9 25 25 89.9 20 20 90.9 86 86 91.9 20 20 93.0 16 16 94.0 12 12 95.1 12 12 97.1 12 12 102.0 20 20 103.1 33 33 105.0 33 33 105.9 29 29 106.9 37 37 109.2 20 20 111.1 12 12 112.0 29 29 115.0 45 45 116.0 16 16 118.0 16 16 118.9 29 29 120.0 16 16 120.9 53 53 121.9 33 33 123.1 20 20 128.0 12 12 128.9 12 12 129.8 8 8 130.8 37 37 131.9 12 12 132.8 41 41 133.8 70 70 135.1 61 61 136.0 49 49 137.0 8 8 138.1 12 12 145.1 12 12 146.0 29 29 146.9 66 66 148.2 37 37 149.2 106 106 150.0 115 115 151.1 82 82 157.0 8 8 159.0 29 29 159.9 37 37 161.1 53 53 162.0 164 164 163.0 156 156 164.1 66 66 165.1 12 12 166.1 12 12 167.0 74 74 171.1 8 8 171.9 8 8 173.0 25 25 173.9 37 37 175.1 49 49 176.1 94 94 177.0 188 188 178.0 180 180 178.9 61 61 185.1 8 8 186.0 8 8 186.9 53 53 188.1 25 25 189.1 41 41 190.1 33 33 191.1 12 12 192.1 25 25 193.1 229 229 194.0 29 29 195.0 37 37 199.2 8 8 200.2 41 41 201.1 29 29 202.1 16 16 203.1 25 25 204.1 205 205 205.0 442 442 206.1 135 135 207.0 70 70 208.0 29 29 213.9 8 8 215.0 33 33 216.0 74 74 217.0 66 66 218.0 61 61 218.9 37 37 220.9 16 16 222.1 364 364 223.0 49 49 227.1 20 20 228.2 78 78 229.1 131 131 230.2 20 20 231.0 37 37 232.1 106 106 233.1 20 20 234.9 8 8 236.1 25 25 241.1 20 20 242.0 33 33 243.1 70 70 244.1 53 53 245.0 37 37 246.1 16 16 247.1 25 25 250.1 8 8 252.0 25 25 255.0 45 45 256.1 8 8 258.0 8 8 259.0 16 16 260.0 8 8 261.0 8 8 268.9 29 29 269.8 143 143 270.9 16 16 272.9 74 74 273.9 25 25 286.0 29 29 288.1 999 999 289.1 184 184 290.2 20 20 305.9 49 49 344.0 20 20 //

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