ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005318
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL PHENYLACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-e5998bc1f7c80cacb981
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 6.09 61
  28 2.74 27
  29 9.34 93
  39 8.43 84
  40 1.12 11
  41 13.41 134
  42 2.94 29
  43 99.99 999
  44 3.35 34
  51 2.54 25
  53 1.01 10
  55 11.48 115
  57 1.01 10
  63 3.04 30
  64 1.11 11
  65 12.9 129
  69 2.54 25
  70 55.28 553
  71 27.54 275
  72 1.42 14
  89 3.25 33
  90 3.15 32
  91 80.03 800
  92 17.98 180
  93 1.12 11
  119 3.55 36
  136 19.82 198
  137 5.89 59
  206 5.08 51
//