ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004036
RECORD_TITLE: PARA-BUTOXYPHENOL; 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$NAME: PARA-BUTOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CCCCOc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
CH$LINK: INCHIKEY MBGGFXOXUIDRJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059548

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$SPLASH: splash10-03di-2900000000-20e1ca3e91044a125bc2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  29 8 80
  39 3.6 36
  41 0.43 4
  53 2.3 23
  54 2.1 21
  55 2.3 23
  57 0.21 2
  65 2 20
  81 2.8 28
  82 1.6 16
  93 0.15 2
  109 3.1 31
  110 99.99 999
  111 6.2 62
  123 0.14 1
  166 16.2 162
  167 1.8 18
//