ACCESSION: MSBNK-Tottori_Univ-TT000151
RECORD_TITLE: 7-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$NAME: 7-Oxocurvularin
CH$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
//