MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001664

ISOPROPYL PHENYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001664
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: CC(C)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY BSMGLVDZZMBWQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6048202

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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$SPLASH: splash10-0a4i-3900000000-408fcfb356cdd271e01e
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 1.72 17
  39 2.28 23
  41 2.74 27
  43 1.35 14
  50 1.95 20
  51 7.57 76
  76 0.93 9
  77 25.73 257
  78 2 20
  105 99.99 999
  106 6.92 69
  148 2.14 21
//