MassBank Record: JP000138



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

ACCESSION: JP000138
RECORD_TITLE: CERVICARCIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CERVICARCIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H20O9 CH$EXACT_MASS: 392.11073 CH$SMILES: CC(O1)C1C(=O)C(O)(C(C)3)C(O)C(C(O)4)(O2)C(C(=O)c(c5)c(c(O)cc5)4)(C(O)3)2 CH$IUPAC: InChI=1S/C19H20O9/c1-6-12(21)18-13(22)8-4-3-5-9(20)10(8)14(23)19(18,28-18)16(25)17(6,26)15(24)11-7(2)27-11/h3-7,11-12,14,16,20-21,23,25-26H,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00or-5491000000-1d27243c30d9b97928d6 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 27 17.51 175 28 11.69 117 29 36.3 363 39 20.59 206 41 19.96 200 43 30.87 309 44 27.97 280 58 11.41 114 65 12.48 125 69 38 380 91 11.06 111 111 10.84 108 121 14.77 148 147 16.12 161 173 11.72 117 175 99.99 999 176 21.43 214 187 34.54 345 203 25.08 251 204 64.31 643 205 10.93 109 213 17.82 178 214 11.12 111 215 25.36 254 226 10.93 109 242 10.65 107 243 36.78 368 254 27.34 273 255 12.92 129 265 37.5 375 270 11.66 117 271 43.38 434 272 14.9 149 289 28.7 287 306 16.31 163 322 13.64 136 392 22.28 223 //