MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009836

TERT-BUTYL PHENYLACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009836
RECORD_TITLE: TERT-BUTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: TERT-BUTYL PHENYLACETATE
CH$NAME: 1,1-DIMETHYLETHYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: O=C(OC(C)(C)C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-12(2,3)14-11(13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
CH$LINK: INCHIKEY QROFQHQXTMKORN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40311506

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AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-9000000000-00249c3b3d165fd7be81
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 4.7 47
  39 5.3 53
  41 16.4 164
  43 0.2 2
  51 1.2 12
  57 99.99 999
  58 3.7 37
  63 0.28 3
  65 9.3 93
  89 3.6 36
  90 3.1 31
  91 6.64 66
  92 19.6 196
  118 1.2 12
  119 9.3 93
  178 0.16 2
  192 1.6 16
//