ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000058
RECORD_TITLE: AMYL 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$NAME: AMYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID AMYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCCCCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C13H18O2/c1-3-4-5-10-15-13(14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
CH$LINK: INCHIKEY FXPYVDXLZGLQKU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00282167

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$SPLASH: splash10-00kr-4900000000-e0f50fdce45af01e1f8b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 4.33 43
  29 4.98 50
  39 5.78 58
  41 7.7 77
  42 6.82 68
  43 3.45 35
  55 4.49 45
  63 1.04 10
  65 11.15 112
  70 4.41 44
  89 2.73 27
  90 1.93 19
  91 43.9 439
  92 8.91 89
  93 7.46 75
  119 99.99 999
  120 8.67 87
  136 68.54 685
  137 58.27 583
  138 4.49 45
  206 0.72 7
//