MassBank Record: TT000120



 Citrinolactone A; FAB-EB; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TT000120
RECORD_TITLE: Citrinolactone A; FAB-EB; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: Kimura YFaculty of Agriculture, Tottori University, Kuramata MFaculty of Agriculture, Tottori University, 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$SMILES: COC(=O)C(O)(C3)C(=C(C3)1)c(c2)c(c(O)cc(C)2)C(=O)O1 CH$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
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 2 181.0 5 5 182.0 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 //