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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007173

P-CRESYL ISOBUTYRATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007173
RECORD_TITLE: P-CRESYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)C(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
CH$LINK: INCHIKEY UPPSFGGDKACIKP-UHFFFAOYSA-N

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$SPLASH: splash10-0a4l-9700000000-7f3009ff6f506c7ee841
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.01 10
  27 12.08 121
  39 8.21 82
  40 1.08 11
  41 10.29 103
  42 2.33 23
  43 62.46 625
  44 1.78 18
  50 1.88 19
  51 5.65 57
  52 2.9 29
  53 3.84 38
  55 1.26 13
  63 1.68 17
  65 2.59 26
  70 8.15 82
  71 16.86 169
  77 14.06 141
  78 4.86 49
  79 6.05 61
  80 2.35 24
  90 2.01 20
  91 4.12 41
  107 24.62 246
  108 99.99 999
  109 7.57 76
  178 10.98 110
  179 1.33 13
//

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