ACCESSION: MSBNK-Tottori_Univ-TT000120
RECORD_TITLE: Citrinolactone A; FAB-EB; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: Kimura Y, Kuramata M, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Kuramata, M., Fujioka, S., Shimada, A., Kawano, T., and Kimura, Y. 2007. Citrinolactones A, B and C, and Sclerotinin C, Plant Growth Regulators from Penicillium citrinum. Bioscience, Biotechnology, and Biochemistry. 71(2): 499-503.
COMMENT: [Analytical] Sample was directly injected

CH$NAME: Citrinolactone A
CH$COMPOUND_CLASS: Natural Product; Isocoumarin
CH$FORMULA: C₁₅H₁₄O₆
CH$EXACT_MASS: 290.07904
CH$SMILES: CC1=CC(=C2C(=C1)C3=C(CC[C@]3(C(=O)OC)O)OC2=O)O
CH$IUPAC: InChI=1S/C15H14O6/c1-7-5-8-11(9(16)6-7)13(17)21-10-3-4-15(19,12(8)10)14(18)20-2/h5-6,16,19H,3-4H2,1-2H3/t15-/m0/s1
CH$LINK: NIKKAJI J2.430.782D
CH$LINK: INCHIKEY MWJQDTTVNPGMAY-HNNXBMFYSA-N
CH$LINK: PUBCHEM CID:102595349

AC$INSTRUMENT: JEOL JMS-HX 110
AC$INSTRUMENT_TYPE: FAB-EB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB

MS$FOCUSED_ION: BASE_PEAK 273.0500

PK$SPLASH: splash10-00e9-0190000000-5d2633abb0fda63ef78c
PK$NUM_PEAK: 283
PK$PEAK: m/z int. rel.int.
  15.4 3 3
  23.3 4 4
  27.3 4 4
  29.3 3 3
  31.3 2 2
  39.4 7 7
  41.4 4 4
  42.4 1 1
  43.6 10 10
  44.4 1 1
  45.3 3 3
  50.3 1 1
  51.4 5 5
  52.4 1 1
  53.2 9 9
  55.3 11 11
  56.2 1 1
  57.2 10 10
  59.2 5 5
  61.3 2 2
  62.3 1 1
  63.3 3 3
  64.3 2 2
  65.2 6 6
  66.3 2 2
  67.2 5 5
  69.2 9 9
  71.2 2 2
  73.3 2 2
  74.1 1 1
  75.2 8 8
  76.2 2 2
  77.2 12 12
  78.2 3 3
  79.2 11 11
  80.2 2 2
  81.2 4 4
  82.2 1 1
  83.2 3 3
  87.1 2 2
  88.1 1 1
  89.1 5 5
  90.1 2 2
  91.1 9 9
  92.2 1 1
  93.2 7 7
  94.2 2 2
  95.2 4 4
  96.1 1 1
  97.1 3 3
  99.2 2 2
  101.1 3 3
  102.2 3 3
  103.1 12 12
  104.1 3 3
  105.1 6 6
  106.1 5 5
  107.1 12 12
  108.0 3 3
  109.1 7 7
  110.1 1 1
  111.1 6 6
  113.1 2 2
  114.0 1 1
  115.1 17 17
  116.0 4 4
  117.1 16 16
  118.1 3 3
  119.1 6 6
  120.1 2 2
  121.1 8 8
  122.1 7 7
  123.1 4 4
  124.0 1 1
  125.0 12 12
  126.1 3 3
  127.0 8 8
  128.0 14 14
  129.0 10 10
  130.0 4 4
  131.0 7 7
  132.0 3 3
  133.0 9 9
  134.0 5 5
  135.0 13 13
  136.0 3 3
  137.0 6 6
  138.1 1 1
  139.0 12 12
  140.1 2 2
  141.0 7 7
  142.1 3 3
  143.1 4 4
  144.0 4 4
  145.1 8 8
  146.1 3 3
  147.1 9 9
  148.1 3 3
  149.1 5 5
  150.1 12 12
  151.0 41 41
  152.1 11 11
  153.1 6 6
  154.1 2 2
  155.1 5 5
  156.0 3 3
  157.1 7 7
  158.1 4 4
  159.0 5 5
  160.0 4 4
  161.0 9 9
  162.0 2 2
  163.0 9 9
  164.0 2 2
  165.0 10 10
  166.0 4 4
  167.0 17 17
  167.9 5 5
  169.1 8 8
  170.0 3 3
  171.0 6 6
  172.0 3 3
  173.0 7 7
  174.0 7 7
  175.0 10 10
  175.9 8 8
  177.0 7 7
  178.0 5 5
  179.0 4 4
  180.1 2 2
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  182.0 3 3
  183.0 5 5
  184.0 13 13
  185.0 38 38
  186.0 11 11
  187.0 13 13
  188.0 6 6
  189.1 12 12
  190.1 11 11
  191.1 7 7
  192.1 3 3
  193.1 3 3
  194.1 2 2
  195.0 4 4
  196.0 4 4
  197.0 10 10
  198.1 12 12
  198.9 15 15
  200.1 10 10
  201.0 24 24
  202.0 18 18
  203.0 22 22
  204.0 6 6
  205.0 6 6
  206.0 3 3
  206.9 4 4
  208.0 2 2
  208.9 4 4
  210.0 4 4
  211.0 11 11
  212.0 11 11
  213.0 133 133
  214.0 92 92
  215.1 127 127
  216.0 31 31
  217.0 31 31
  218.1 7 7
  219.1 9 9
  220.1 4 4
  221.1 6 6
  222.1 3 3
  223.0 7 7
  224.0 6 6
  224.6 1 1
  225.0 14 14
  226.0 17 17
  227.1 30 30
  228.0 20 20
  228.5 1 1
  229.0 69 69
  230.0 73 73
  231.1 771 771
  232.0 140 140
  233.0 27 27
  234.0 5 5
  235.0 5 5
  236.0 3 3
  237.0 8 8
  237.9 5 5
  238.9 17 17
  240.0 30 30
  241.0 64 64
  242.0 76 76
  243.1 55 55
  243.9 27 27
  245.2 297 297
  246.1 49 49
  247.1 17 17
  248.1 5 5
  249.1 5 5
  250.1 4 4
  251.0 8 8
  252.0 8 8
  253.0 28 28
  254.0 12 12
  254.5 1 1
  255.0 20 20
  256.0 32 32
  257.1 45 45
  258.0 17 17
  259.0 32 32
  260.1 9 9
  261.0 14 14
  262.0 6 6
  263.0 8 8
  264.0 5 5
  265.0 9 9
  266.0 5 5
  267.1 11 11
  268.0 7 7
  269.0 17 17
  270.1 8 8
  271.0 19 19
  272.0 67 67
  273.1 999 999
  274.2 211 211
  275.0 75 75
  276.0 16 16
  277.0 13 13
  278.1 5 5
  279.0 8 8
  280.0 4 4
  281.1 8 8
  282.1 4 4
  283.0 8 8
  284.1 5 5
  285.0 22 22
  286.1 13 13
  287.1 28 28
  288.1 13 13
  289.1 38 38
  290.1 111 111
  291.3 433 433
  292.2 83 83
  293.2 21 21
  294.0 5 5
  295.0 5 5
  296.1 3 3
  297.1 8 8
  298.1 4 4
  299.1 9 9
  300.1 5 5
  301.1 12 12
  302.0 9 9
  303.1 37 37
  304.2 13 13
  305.0 28 28
  306.1 10 10
  307.0 12 12
  308.0 4 4
  309.1 5 5
  310.0 3 3
  311.0 6 6
  312.0 7 7
  313.0 51 51
  314.1 12 12
  315.0 10 10
  316.1 6 6
  317.2 11 11
  318.1 5 5
  319.1 8 8
  320.1 4 4
  321.0 8 8
  322.1 4 4
  323.0 5 5
  324.1 3 3
  325.0 6 6
  326.1 4 4
  327.1 6 6
  328.0 3 3
  329.1 9 9
  330.1 6 6
//