ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009764
RECORD_TITLE: GEIPARVARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GEIPARVARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₅
CH$EXACT_MASS: 326.11542
CH$SMILES: O=C(C=3)Oc(c1)c(C3)ccc(OCC=C(C)C(=C2)OC(C)(C)C(=O)2)1
CH$IUPAC: InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
CH$LINK: INCHIKEY OUTLLBZGJYDUQE-XYOKQWHBSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-014i-9500000000-92fb71b83a517d490a18
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41 35.59 356
  43 15.48 155
  51 11.57 116
  67 12.46 125
  69 99.99 999
  77 26.69 267
  78 12.99 130
  79 14.59 146
  109 27.22 272
  134 15.48 155
  137 21.53 215
  162 20.28 203
  165 59.25 593
  326 17.79 178
//