ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003120
RECORD_TITLE: NORHALKENDIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: NORHALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈O₅
CH$EXACT_MASS: 232.03717
CH$SMILES: COC(C(=O)3)=C(O)c(c1)c(O3)cc(o2)c(cc2)1
CH$IUPAC: InChI=1S/C12H8O5/c1-15-11-10(13)7-4-6-2-3-16-8(6)5-9(7)17-12(11)14/h2-5,13H,1H3
CH$LINK: INCHIKEY DSWVVCVDHBZKEH-UHFFFAOYSA-N

AC$INSTRUMENT: AEI-GEC MS-902
AC$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$SPLASH: splash10-001i-0690000000-c384c29f9501062a733e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  133 9 90
  161 50 500
  189 41 410
  203 5 50
  214 6 60
  217 23 230
  232 99.99 999
  233 15 150
//