ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006148
RECORD_TITLE: ISOPENTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-c806cd688d49ec7fcb4f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 4.22 42
  41 4.62 46
  42 1.5 15
  43 99.99 999
  44 2.66 27
  55 7.14 71
  65 1.53 15
  69 1.23 12
  70 36.6 366
  71 15.61 156
  91 28.58 286
  93 7.92 79
  136 5.6 56
  137 1.51 15
//