ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004059
RECORD_TITLE: PARA-SEC-BUTYLPHENOL; 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$NAME: PARA-SEC-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: CCC(C)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
CH$LINK: INCHIKEY ZUTYZAFDFLLILI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022332

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$SPLASH: splash10-00di-4900000000-a7a8f1e2b6dce2f8a82b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38 1.6 16
  39 11.2 112
  40 1.5 15
  41 0.68 7
  43 1.5 15
  50 1.5 15
  51 4.1 41
  53 0.21 2
  55 4.5 45
  63 1.5 15
  65 5.1 51
  66 0.2 2
  77 12.9 129
  78 2 20
  85 2.8 28
  91 0.8 8
  92 1.1 11
  93 2.2 22
  94 1.5 15
  103 0.82 8
  107 8.8 88
  120 1.3 13
  121 99.99 999
  122 0.82 8
  150 13.1 131
//