ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006961
RECORD_TITLE: PHENOXYETHYL ISOBUTYRATE; 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$NAME: PHENOXYETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)C(=O)OCCOc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY MJTPMXWJHPOWGH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7042279

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$SPLASH: splash10-014l-9500000000-69ef91cea075b4387062
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 9.09 91
  38 1.11 11
  39 11.28 113
  40 1.3 13
  41 10.61 106
  42 1.86 19
  43 68.82 688
  44 2.3 23
  45 1.72 17
  50 1.48 15
  51 7.5 75
  55 1.78 18
  63 1.63 16
  65 10.73 107
  66 1.82 18
  71 13.89 139
  77 21.06 211
  78 1.65 17
  79 1.05 11
  91 2.84 28
  93 1.72 17
  94 6.63 66
  107 1.56 16
  115 99.99 999
  116 7.23 72
  119 1.1 11
  120 4.56 46
  121 1.45 15
  208 1.68 17
//