ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008500
RECORD_TITLE: 1-METHYLETHYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1-METHYLETHYL PHENYLACETATE
CH$NAME: ISOPROPYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)OC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY SSMBXPJYHMZLOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025483
AC$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
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-1f974656022600dc0f4a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  27 7.54 75
  38 1.15 12
  39 11.41 114
  41 15.18 152
  42 1.56 16
  43 78.6 786
  44 2.22 22
  45 1.12 11
  50 1.23 12
  51 3.57 36
  52 1.03 10
  62 1.07 11
  63 4.62 46
  64 1.49 15
  65 15.42 154
  77 1.03 10
  89 4.75 48
  90 4.08 41
  91 99.99 999
  92 27.52 275
  93 1.52 15
  119 5.06 51
  178 11.81 118
  179 1.36 14
//
