ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$LINK: CAS 5307-59-5
CH$LINK: INCHIKEY MBZKDBQDALOSRP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30201149

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
//