ACCESSION: MSBNK-Tottori_Univ-TT000148
RECORD_TITLE: 8-beta-Hydroxy-oxocurvularin; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: Kimura Y, Kusano M, 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
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  47.0 6 6
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  48.3 3 3
  50.0 34 34
  51.1 77 77
  51.6 3 3
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  53.1 50 50
  54.1 28 28
  54.5 1 1
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  60.9 10 10
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  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
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  74.4 1 1
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  75.6 3 3
  75.8 48 48
  76.9 148 148
  78.0 45 45
  78.9 30 30
  79.3 7 7
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  80.9 34 34
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  91.4 2 2
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  164.8 36 36
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  168.8 4 4
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  170.9 12 12
  171.3 1 1
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  173.9 36 36
  174.4 3 3
  174.8 999 999
  175.4 2 2
  175.9 651 651
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  238.1 1 1
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  242.8 18 18
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  245.7 1 1
  246.2 1 1
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//