MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006147

ISOBUTYL PHENYLACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006147
RECORD_TITLE: ISOBUTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY RJASFPFZACBKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051512

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-9000000000-ac191325e5762ab863eb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 40.91 409
  41 48.41 484
  42 1.5 15
  43 2.99 30
  55 1.78 18
  56 6.73 67
  57 99.99 999
  58 4.03 40
  65 3.98 40
  71 1.49 15
  91 68.76 688
  92 25.18 252
  93 1.57 16
  119 3.87 39
  136 17.23 172
  137 6.43 64
  192 0.57 6
//