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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000054

BUTYL PARA TOLUATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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.
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  119 99.99 999
  120 8.44 84
  136 57.67 577
  137 29.37 294
  138 2.02 20
  192 1.55 16
//

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