MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001776

EICOSANOIC ACID BUTYL ESTER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001776
RECORD_TITLE: EICOSANOIC ACID BUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: EICOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY WZRBMKGXBAVSQL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3067239

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-014i-1009000000-cd099bf9b3d909cc3c00
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65 3.71 37
  66 0.7 7
  67 2.49 25
  70 0.16 2
  71 1.73 17
  73 7.91 79
  79 0.85 9
  81 1.38 14
  83 1.39 14
  85 1.86 19
  91 0.33 3
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  293 1.46 15
  295 3.13 31
  311 1.66 17
  312 1.55 16
  313 32.65 327
  314 6.48 65
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  369 99.99 999
  370 23.17 232
  371 3.34 33
//