ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000060
RECORD_TITLE: ISOAMYL PARA TOLUATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOAMYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID ISOAMYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
CH$LINK: INCHIKEY WDNOGGRIGNCXKH-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-01bi-9800000000-93f62af651781dfa750a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.55 26
  29 3.16 32
  39 5.23 52
  41 7.9 79
  42 7.96 80
  43 7.23 72
  55 18.91 189
  63 1.64 16
  65 14.1 141
  69 1.16 12
  70 70.15 702
  71 3.53 35
  89 3.16 32
  90 1.95 20
  91 42.55 426
  92 5.47 55
  93 5.53 55
  119 99.99 999
  120 8.88 89
  136 31.61 316
  137 39.21 392
  138 3.4 34
//