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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009729

BENZOIC ACID PENTYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009729
RECORD_TITLE: BENZOIC ACID PENTYL ESTER; 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$NAME: BENZOIC ACID PENTYL ESTER
CH$NAME: PENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051849

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$SPLASH: splash10-05fr-1900000000-60010269841a299a1231
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41 1.73 17
  42 10.03 100
  43 2.66 27
  55 8.34 83
  77 14.29 143
  78 1.47 15
  79 5.78 58
  105 76.28 763
  106 6.98 70
  122 19.7 197
  123 99.99 999
  124 7.98 80
  135 1.22 12
  192 2.72 27
  193 0.59 6
//

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