ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009404
RECORD_TITLE: ISOPENTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL PHENYLACETATE
CH$NAME: 3-METHYLBUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: INCHIKEY QWBQBUWZZBUFHN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044501

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-dcdd64feb66cdbfaff3e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.08 11
  27 6.15 62
  29 6.8 68
  39 12.67 127
  40 1.56 16
  41 22.67 227
  42 4.65 47
  43 99.99 999
  44 4.36 44
  50 1.78 18
  51 4.68 47
  52 2.06 21
  53 2.06 21
  55 17.79 178
  56 1.52 15
  57 2.24 22
  62 1.38 14
  63 6.58 66
  64 2 20
  65 25.99 260
  66 1.48 15
  69 2.4 24
  70 53.79 538
  71 23.53 235
  72 1.28 13
  77 1.21 12
  89 4.3 43
  90 3.51 35
  91 73.99 740
  92 16.22 162
  93 1.03 10
  119 2.1 21
  136 8.06 81
  137 2.28 23
//