ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000054
RECORD_TITLE: BUTYL 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$NAME: BUTYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
CH$LINK: INCHIKEY UYGHRCCJWWYXMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3066475

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$SPLASH: splash10-014u-6900000000-17c8d14576c74772204b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 7.02 70
  29 11.89 119
  39 11.89 119
  41 13.2 132
  50 1.19 12
  51 2.5 25
  55 2.26 23
  56 11.89 119
  63 4.52 45
  65 22.35 224
  89 3.57 36
  90 2.5 25
  91 50.18 502
  92 5.95 60
  93 3.33 33
  119 99.99 999
  120 8.44 84
  136 57.67 577
  137 29.37 294
  138 2.02 20
  192 1.55 16
//