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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006416

P-CRESYL BUTYRATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006416
RECORD_TITLE: P-CRESYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL BUTYRATE
CH$NAME: 4-METHYLPHENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY RRXBRABFDRJAPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90163279

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-7900000000-bc4ffb81261319d176ea
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 10.69 107
  29 1.24 12
  39 6.69 67
  41 8.33 83
  42 1.53 15
  43 30.44 304
  50 1.47 15
  51 4.23 42
  52 2.34 23
  53 2.39 24
  55 1.71 17
  63 1.46 15
  65 2.32 23
  71 11.58 116
  77 10.67 107
  78 3.42 34
  79 4.59 46
  80 1.94 19
  90 1.46 15
  91 3.64 36
  107 18.29 183
  108 99.99 999
  109 8.85 89
  178 7.37 74
//

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