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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004063

ORTHO-SEC-BUTYLPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004063
RECORD_TITLE: ORTHO-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$NAME: ORTHO-SEC-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CCC(C)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
CH$LINK: INCHIKEY NGFPWHGISWUQOI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022331

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$SPLASH: splash10-00di-5900000000-68facb05fa0069d5a100
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 11.2 112
  29 6.2 62
  38 0.23 2
  39 12 120
  40 1.7 17
  41 5 50
  42 0.15 2
  50 2.9 29
  51 6.9 69
  52 2.3 23
  53 0.3 3
  55 2.9 29
  62 2.1 21
  63 3.2 32
  64 0.18 2
  65 5 50
  66 2.1 21
  77 18.5 185
  78 0.29 3
  79 1.8 18
  91 12.7 127
  103 18.2 182
  104 0.15 2
  108 1.5 15
  115 2 20
  117 10.9 109
  121 99.99 999
  122 10 100
  135 2.3 23
  150 16.7 167
  151 1.5 15
//

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