MassBank Record: TT000123



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

ACCESSION: TT000123
RECORD_TITLE: Citrinolactone B; EI-B; 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$NAME: Citrinolactone B CH$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 JMX-SX 102 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$FOCUSED_ION: BASE_PEAK 214.0330
PK$SPLASH: splash10-0gx0-3590000000-95e3296b5dc751b849ca PK$NUM_PEAK: 196 PK$PEAK: m/z int. rel.int. 40.00 18 18 41.00 44 44 41.99 9 9 43.03 29 29 43.94 7 7 44.98 2 2 49.00 1 1 49.96 35 35 51.00 121 121 51.54 2 2 52.03 57 57 53.11 115 115 54.07 7 7 54.98 77 77 55.98 4 4 57.10 6 6 57.51 5 5 57.97 2 2 59.00 2 2 60.04 2 2 61.03 5 5 62.02 25 25 63.02 66 66 63.55 5 5 64.05 47 47 64.55 7 7 65.03 152 152 65.45 4 4 66.03 59 59 66.94 24 24 67.89 4 4 68.93 44 44 69.46 4 4 69.96 11 11 70.42 2 2 70.96 4 4 71.97 3 3 72.97 4 4 73.97 20 20 74.98 32 32 76.03 30 30 77.03 124 124 77.49 2 2 78.03 38 38 78.54 3 3 79.04 55 55 79.54 2 2 80.00 27 27 80.46 3 3 81.08 34 34 82.08 6 6 83.08 2 2 84.00 6 6 84.50 1 1 85.08 1 1 85.50 1 1 86.00 7 7 86.50 1 1 87.00 17 17 87.46 2 2 88.00 13 13 88.50 9 9 88.96 46 46 90.0 15 15 90.97 44 44 92.02 27 27 92.52 6 6 93.03 72 72 93.53 6 6 94.03 35 35 94.45 1 1 95.0 17 17 96.01 1 1 96.97 5 5 97.94 4 4 98.99 3 3 99.96 4 4 100.97 23 23 101.48 11 11 101.98 50 50 102.49 3 3 103.00 24 24 104.01 6 6 105.02 41 41 106.03 54 54 106.54 3 3 107.05 51 51 107.55 9 9 108.06 6 6 108.52 1 1 109.11 48 48 110.04 4 4 111.05 2 2 113.01 3 3 113.97 5 5 114.98 80 80 115.48 25 25 115.98 61 61 116.49 7 7 117.07 12 12 118.08 8 8 118.95 10 10 119.96 4 4 121.01 87 87 122.03 79 79 123.04 9 9 124.01 6 6 125.02 7 7 125.99 4 4 127.05 26 26 128.06 59 59 129.07 51 51 130.04 20 20 130.97 24 24 131.98 16 16 133.00 48 48 134.01 54 54 134.98 30 30 135.99 3 3 137.05 1 1 138.99 6 6 140.00 4 4 141.01 9 9 142.02 2 2 143.03 6 6 144.03 18 18 145.04 17 17 146.05 5 5 146.97 8 8 147.98 5 5 148.99 7 7 149.96 34 34 151.02 164 164 151.98 16 16 153.04 1 1 154.98 2 2 155.99 2 2 157.00 34 34 158.02 72 72 159.03 22 22 160.04 10 10 160.96 23 23 162.05 2 2 162.97 3 3 164.02 1 1 164.94 2 2 166.95 1 1 167.95 5 5 168.95 5 5 170.00 1 1 170.97 9 9 171.97 3 3 172.98 6 6 173.99 6 6 175.00 24 24 175.92 27 27 176.93 31 31 178.03 5 5 178.99 1 1 183.00 1 1 184.01 4 4 185.06 185 185 186.05 412 412 187.05 67 67 188.06 8 8 188.99 6 6 190.00 3 3 192.99 2 2 195.93 4 4 196.93 2 2 198.01 2 2 198.92 2 2 199.96 4 4 200.92 13 13 201.97 11 11 203.05 773 773 204.10 375 375 205.02 52 52 206.03 6 6 207.03 1 1 212.04 2 2 212.96 24 24 214.03 999 999 215.08 295 295 216.04 41 41 217.00 8 8 218.08 1 1 222.02 4 4 226.03 1 1 228.97 6 6 230.00 16 16 231.08 258 258 232.04 999 999 233.04 196 196 234.00 24 24 235.04 2 2 //

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