MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009726

BENZOIC ACID BUTYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009726
RECORD_TITLE: BENZOIC ACID BUTYL 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

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CH$NAME: BENZOIC ACID BUTYL ESTER
CH$NAME: 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: COMPTOX DTXSID8040694
CH$LINK: INCHIKEY XSIFPSYPOVKYCO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8698

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ab9-2900000000-cfe269ed8f7f82c0ea4e
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 2.4 24
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  55 2.36 24
  56 25.17 252
  57 1.6 16
  77 20.58 206
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  107 1 10
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  123 92.53 925
  124 7.28 73
  135 1.75 18
  178 3.1 31
  179 0.6 6
//