ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003123
RECORD_TITLE: HALKENDIN; 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$NAME: HALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₅
CH$EXACT_MASS: 246.05282
CH$SMILES: COC(C(=O)3)=C(OC)c(c1)c(O3)cc(o2)c(cc2)1
CH$IUPAC: InChI=1S/C13H10O5/c1-15-11-8-5-7-3-4-17-9(7)6-10(8)18-13(14)12(11)16-2/h3-6H,1-2H3
CH$LINK: INCHIKEY NYELECLICIMRBA-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$SPLASH: splash10-0w59-3980000000-ebc95cff4b4665760105
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  75 14 140
  76 62 620
  104 25 250
  116 19 190
  117 13 130
  132 55 550
  160 76 760
  161 9 90
  175 4 40
  186 4 40
  203 99.99 999
  204 12 120
  215 4 40
  217 3 30
  231 14 140
  246 57 570
  247 7 70
//