MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001817

ISOBUTYL PHENYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001817
RECORD_TITLE: ISOBUTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O
CH$EXACT_MASS: 162.10447
CH$SMILES: CC(C)CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY HEOVGVNITGAUKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060390

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AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-5900000000-604a50e6b49857c08c75
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  28 4.11 41
  30 3.1 31
  39 4.76 48
  43 1.79 18
  50 3.51 35
  51 13.93 139
  52 1.07 11
  57 1.49 15
  69 1.73 17
  77 45.83 458
  78 6.07 61
  91 1.73 17
  105 99.99 999
  106 7.38 74
  120 22.92 229
  121 1.73 17
  147 3.39 34
  162 11.55 116
  163 1.49 15
//