ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011067
RECORD_TITLE: 4-ETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-ETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: CCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
CH$LINK: CAS 123-07-9
CH$LINK: INCHIKEY HXDOZKJGKXYMEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021977

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-3900000000-8b361994c5f7ad64360e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.38 34
  39 5.16 52
  50 2.01 20
  51 3.17 32
  52 1.83 18
  53 2.99 30
  55 1.38 14
  62 1.37 14
  63 3.65 37
  65 3.52 35
  66 1.2 12
  77 13.13 131
  78 3.27 33
  79 1.81 18
  91 4.43 44
  93 1 10
  94 1.54 15
  103 1.63 16
  107 99.99 999
  108 7.78 78
  121 3.33 33
  122 33.18 332
  123 3.27 33
//