ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009483
RECORD_TITLE: 4-SEC-BUTYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-SEC-BUTYLPHENOL
CH$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$LINK: CAS 99-71-8
CH$LINK: INCHIKEY ZUTYZAFDFLLILI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022332

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$SPLASH: splash10-00di-4900000000-10a3c41667e51f5a9cdb
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.04 10
  26 1.01 10
  27 7.31 73
  28 1.76 18
  29 5.73 57
  39 6.43 64
  41 3.17 32
  50 1.12 11
  51 3.11 31
  52 1.05 11
  53 2.14 21
  55 2.28 23
  63 2.49 25
  65 5.84 58
  66 1.68 17
  77 13.67 137
  78 2.3 23
  79 1.62 16
  89 1.11 11
  91 11.67 117
  92 2 20
  93 4.26 43
  95 1.06 11
  103 8.66 87
  105 1.06 11
  107 12.42 124
  108 1.18 12
  119 2.06 21
  120 4.97 50
  121 99.99 999
  122 9.02 90
  135 3.77 38
  150 19.65 197
  151 2.16 22
//