ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005317
RECORD_TITLE: ISOBUTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-ace9dec3575724d71acf
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 5.7 57
  28 1.24 12
  29 27.94 279
  39 11.05 111
  40 1.17 12
  41 33.65 337
  42 1.9 19
  43 3.95 40
  50 1.24 12
  51 3.29 33
  52 1.17 12
  55 2.12 21
  56 6.14 61
  57 70.89 709
  58 3.22 32
  62 1.09 11
  63 4.02 40
  64 1.46 15
  65 16.09 161
  66 1.1 11
  71 1.83 18
  89 4.31 43
  90 3.8 38
  91 99.99 999
  92 31.78 318
  93 2.27 23
  119 9.29 93
  136 37.46 375
  137 13.31 133
  138 1.09 11
  192 9.21 92
  193 1.35 14
//