MassBank Record: JP001230



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

ACCESSION: JP001230
RECORD_TITLE: ROBUSTIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ROBUSTIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H20O6 CH$EXACT_MASS: 380.12599 CH$SMILES: COc(c4)ccc(c4)C(C(=O)3)=C(O)c(c(O3)1)c(OC)c(C=2)c(OC(C)(C)C2)c1 CH$IUPAC: InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3 CH$LINK: CAS 5307-59-5
AC$INSTRUMENT: HITACHI RMU-6D 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: splash10-0159-1469000000-e858f52a87e1a1831002 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 77 18 180 91 10 100 105 6 60 115 0.4 4 120 7 70 135 7 70 148 23 230 162 0.2 2 165 12 120 175 13 130 190 6 60 201 0.08 1 202 8 80 203 13 130 217 95 950 233 0.32 3 294 5 50 307 6 60 323 14 140 337 0.19 2 350 8 80 351 6 60 352 1 10 365 0.73 7 366 4 40 367 3 30 378 17 170 380 99.99 999 382 7 70 //