MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004893

METHYL 3-METHYL-4-PHENYLPENTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004893
RECORD_TITLE: METHYL 3-METHYL-4-PHENYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL 3-METHYL-4-PHENYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: COC(=O)CC(C)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-10(9-13(14)15-3)11(2)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
CH$LINK: INCHIKEY AICDYPXWSBSRPM-UHFFFAOYSA-N

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-0910000000-4eaadc911a29e6a9f2c5
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  105 28.3 283
  106 1.6 16
  132 99.99 999
  133 1.4 14
  174 21 210
  175 9 90
  206 19.2 192
//