ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008848
RECORD_TITLE: ISOBUTYL PHENYLACETATE; 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

CH$NAME: ISOBUTYL PHENYLACETATE
CH$NAME: PHENYLACETIC ACID ISOBUTYL ESTER
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: COMPTOX DTXSID6051512
CH$LINK: INCHIKEY RJASFPFZACBKBE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60998

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9100000000-0292ab122c6decdbfa95
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5.27 53
  28 2.97 30
  29 27.67 277
  39 10.39 104
  41 34.87 349
  42 1.85 19
  43 5.12 51
  51 3.12 31
  55 2.23 22
  56 6.31 63
  57 69.14 691
  58 3.12 31
  62 1.04 10
  63 3.78 38
  65 14.61 146
  71 2.15 22
  89 3.56 36
  90 3.12 31
  91 99.99 999
  92 30.04 300
  93 2 20
  119 8.09 81
  136 32.12 321
  137 11.13 111
  138 1.04 10
  192 2.82 28
//