MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003140

N-BUTYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003140
RECORD_TITLE: N-BUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: N-BUTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
CH$LINK: INCHIKEY XSIFPSYPOVKYCO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8040694

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AC$INSTRUMENT: HITACHI RMU-7L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ab9-3900000000-ffdf8a82782a558951ee
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  50 6 60
  51 14 140
  56 26 260
  77 42 420
  79 5 50
  105 99.99 999
  106 8 80
  122 20 200
  123 87 870
  124 4 40
  178 4 40
//