ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004062
RECORD_TITLE: ORTHO-TERT-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$NAME: ORTHO-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: Oc(c1)c(ccc1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
CH$LINK: INCHIKEY WJQOZHYUIDYNHM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026525

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$SPLASH: splash10-000i-2900000000-f08add6a3f5820a671b0
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  18 1.3 13
  27 1.8 18
  29 1.4 14
  41 0.62 6
  51 4.3 43
  52 1 10
  53 1.5 15
  55 0.12 1
  56 2.6 26
  57 1.5 15
  63 2.5 25
  64 0.13 1
  65 4.5 45
  67 1.5 15
  68 2 20
  69 0.13 1
  75 1.7 17
  77 6 60
  78 1.6 16
  79 0.29 3
  89 1.4 14
  91 13.9 139
  92 1 10
  94 0.21 2
  95 4.6 46
  103 1.5 15
  105 1.2 12
  107 6.65 67
  108 4.3 43
  109 1.5 15
  115 12.3 123
  116 0.23 2
  117 1.2 12
  119 1 10
  135 99.99 999
  136 0.96 10
  149 6.3 63
  150 36.9 369
  151 3.8 38
//