MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006896

PHENYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006896
RECORD_TITLE: PHENYL ACETATE; 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$NAME: PHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY IPBVNPXQWQGGJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3051626

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-c511fa85854cadfd24e7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 3.31 33
  38 3.21 32
  39 14.81 148
  40 1.94 19
  42 1.65 17
  43 28.57 286
  50 2.17 22
  51 4.15 42
  55 1.44 14
  62 1.34 13
  63 3.28 33
  64 1.45 15
  65 11.19 112
  66 12.08 121
  77 2.28 23
  93 1.41 14
  94 99.99 999
  95 7.31 73
  136 13.82 138
  137 1.1 11
//