ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003124
RECORD_TITLE: DIHYDROHALKENDIN; 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$NAME: DIHYDROHALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂O₅
CH$EXACT_MASS: 248.06847
CH$SMILES: COC(C(=O)3)=C(OC)c(c1)c(O3)cc(O2)c(CC2)1
CH$IUPAC: InChI=1S/C13H12O5/c1-15-11-8-5-7-3-4-17-9(7)6-10(8)18-13(14)12(11)16-2/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY ALFYPNXHSPCORY-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0a4j-0190000000-f6298bc30025bd1fa0b2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  78 7 70
  91 3 30
  106 4 40
  118 2 20
  134 9 90
  162 14 140
  177 7 70
  205 99.99 999
  206 12 120
  233 16 160
  248 84 840
  249 12 120
//