ACCESSION: MSBNK-Tottori_Univ-TT000122
RECORD_TITLE: Citrinolactone B; 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$NAME: Citrinolactone B
CH$COMPOUND_CLASS: Natural Product; Isocoumarin
CH$FORMULA: C₁₃H₁₂O₄
CH$EXACT_MASS: 232.07356
CH$SMILES: CC1=CC(=C2C(=C1)C3=C(CC[C@@H]3O)OC2=O)O
CH$IUPAC: InChI=1S/C13H12O4/c1-6-4-7-11-8(14)2-3-10(11)17-13(16)12(7)9(15)5-6/h4-5,8,14-15H,2-3H2,1H3/t8-/m0/s1
CH$LINK: NIKKAJI J2.430.783B
CH$LINK: INCHIKEY DMYRPFPADKEUEO-QMMMGPOBSA-N
CH$LINK: PUBCHEM CID:102595350

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 215.0395

PK$SPLASH: splash10-0159-0190000000-90083eedd57deaae8b9f
PK$NUM_PEAK: 272
PK$PEAK: m/z int. rel.int.
  19.4 2 2
  27.3 2 2
  29.3 4 4
  31.3 3 3
  39.3 2 2
  41.4 3 3
  42.2 1 1
  43.3 10 10
  44.4 1 1
  45.4 9 9
  47.3 1 1
  51.3 1 1
  53.3 4 4
  55.2 5 5
  56.2 1 1
  57.3 22 22
  58.2 2 2
  59.2 1 1
  61.2 3 3
  63.2 1 1
  65.3 4 4
  66.3 1 1
  67.2 2 2
  69.2 2 2
  71.2 2 2
  73.2 5 5
  74.2 3 3
  75.2 35 35
  76.1 2 2
  77.2 5 5
  78.1 1 1
  79.1 2 2
  81.1 2 2
  83.2 1 1
  85.1 1 1
  87.2 3 3
  89.1 3 3
  90.1 1 1
  91.1 6 6
  92.2 1 1
  93.2 50 50
  94.2 2 2
  95.2 2 2
  97.2 1 1
  99.2 2 2
  100.1 1 1
  101.1 2 2
  102.1 1 1
  103.1 14 14
  104.1 1 1
  105.1 3 3
  106.1 2 2
  107.1 2 2
  108.1 1 1
  109.1 9 9
  110.2 1 1
  111.1 1 1
  113.1 1 1
  115.0 8 8
  116.0 3 3
  117.0 34 34
  118.1 3 3
  119.1 5 5
  120.1 1 1
  121.0 4 4
  122.0 3 3
  123.1 1 1
  124.0 1 1
  125.0 1 1
  126.0 1 1
  127.0 3 3
  128.1 6 6
  129.1 10 10
  130.0 3 3
  131.1 8 8
  132.0 2 2
  133.0 9 9
  134.0 3 3
  135.0 11 11
  136.0 2 2
  137.1 2 2
  139.0 2 2
  139.9 1 1
  141.1 3 3
  142.1 1 1
  142.9 1 1
  144.0 3 3
  144.9 6 6
  146.1 2 2
  147.0 9 9
  148.1 2 2
  149.1 24 24
  149.9 5 5
  151.0 15 15
  152.0 3 3
  153.0 1 1
  155.0 1 1
  156.0 1 1
  157.0 2 2
  158.1 2 2
  159.0 4 4
  160.0 2 2
  161.0 5 5
  162.0 1 1
  163.0 4 4
  164.0 1 1
  165.1 9 9
  166.1 2 2
  167.1 2 2
  168.0 1 1
  169.1 2 2
  170.1 1 1
  171.1 2 2
  172.0 1 1
  173.0 2 2
  174.0 1 1
  175.0 3 3
  176.0 2 2
  177.0 3 3
  178.1 1 1
  179.0 2 2
  180.1 1 1
  180.9 2 2
  181.9 1 1
  183.0 1 1
  184.0 2 2
  185.1 36 36
  185.9 9 9
  186.9 18 18
  188.0 5 5
  188.9 4 4
  189.9 5 5
  191.1 3 3
  191.9 1 1
  193.1 1 1
  195.1 1 1
  197.1 6 6
  198.4 15 15
  199.1 17 17
  200.1 8 8
  201.1 12 12
  202.0 7 7
  203.1 16 16
  204.0 18 18
  205.1 5 5
  206.1 1 1
  207.0 3 3
  208.0 1 1
  209.0 1 1
  210.0 1 1
  210.9 2 2
  211.9 2 2
  213.0 9 9
  214.0 119 119
  215.0 999 999
  216.2 213 213
  217.1 50 50
  218.1 7 7
  219.1 5 5
  220.1 1 1
  221.1 3 3
  222.0 1 1
  223.0 3 3
  224.0 1 1
  225.1 2 2
  226.1 2 2
  227.1 13 13
  228.1 8 8
  229.0 11 11
  230.1 10 10
  231.0 77 77
  232.2 222 222
  233.4 601 601
  234.0 93 93
  235.0 14 14
  236.0 2 2
  236.9 2 2
  238.0 1 1
  238.9 3 3
  239.9 1 1
  241.1 9 9
  242.1 2 2
  243.0 4 4
  244.0 2 2
  245.0 8 8
  246.0 4 4
  247.0 9 9
  248.0 3 3
  249.0 5 5
  249.9 1 1
  251.0 1 1
  253.1 2 2
  254.1 1 1
  255.0 4 4
  256.0 1 1
  257.0 5 5
  258.1 1 1
  259.1 3 3
  260.0 1 1
  261.1 2 2
  262.0 1 1
  263.0 3 3
  264.1 1 1
  265.1 1 1
  267.2 1 1
  269.1 2 2
  270.1 1 1
  271.0 3 3
  272.1 1 1
  273.1 5 5
  274.1 2 2
  275.1 3 3
  276.1 1 1
  277.1 4 4
  278.0 1 1
  279.1 2 2
  280.1 1 1
  281.1 2 2
  283.0 2 2
  284.1 1 1
  285.1 1 1
  287.0 2 2
  288.1 1 1
  289.0 4 4
  290.2 1 1
  291.1 3 3
  292.2 1 1
  293.0 2 2
  295.2 1 1
  297.2 2 2
  299.1 2 2
  300.1 1 1
  301.0 1 1
  303.1 2 2
  304.1 1 1
  305.0 5 5
  306.0 2 2
  307.1 8 8
  308.0 2 2
  309.0 1 1
  311.1 1 1
  313.1 2 2
  314.1 1 1
  315.1 1 1
  317.0 3 3
  318.0 1 1
  319.1 2 2
  320.2 1 1
  321.0 2 2
  322.1 1 1
  323.0 3 3
  324.1 1 1
  325.1 6 6
  326.1 1 1
  327.1 2 2
  329.1 1 1
  330.1 1 1
  331.1 1 1
  332.0 1 1
  333.0 2 2
  334.2 1 1
  335.0 2 2
  336.1 2 2
  337.0 2 2
  338.0 1 1
  339.1 1 1
  341.1 2 2
  342.9 1 1
  345.1 1 1
  346.0 1 1
  347.0 2 2
  348.0 1 1
//