ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004019
RECORD_TITLE: PHENETOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PHENETOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: CCOc(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: COMPTOX DTXSID7059278
CH$LINK: INCHIKEY DLRJIFUOBPOJNS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7674

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9200000000-0a5d8abdd0d153cfecfb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  29 3.1 31
  38 1.5 15
  39 0.73 7
  40 1.9 19
  50 1.8 18
  51 5 50
  55 0.22 2
  63 1.9 19
  64 1 10
  65 7.5 75
  66 1.31 13
  77 7.9 79
  78 1.2 12
  79 1.2 12
  93 0.1 1
  94 99.99 999
  95 6 60
  122 37.9 379
  123 2.9 29
//