MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002334

3-METHYL-1-PHENYL-2-BUTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002334
RECORD_TITLE: 3-METHYL-1-PHENYL-2-BUTANONE; 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

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CH$NAME: 3-METHYL-1-PHENYL-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O
CH$EXACT_MASS: 162.10447
CH$SMILES: CC(C)C(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY ZATIMOAGKJEVGN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40183129

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-006x-9000000000-a92fd915daa1a1411e0a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  42 9.5 95
  43 99.99 999
  51 2.68 27
  63 3.17 32
  64 1.08 11
  65 14.26 143
  70 16.86 169
  71 84.65 847
  72 4.1 41
  77 1.27 13
  89 3.33 33
  90 2.17 22
  91 62.54 625
  92 11.2 112
  105 1.51 15
  162 11.75 118
  163 1.37 14
//