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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007461

4-PROPOXYBENZOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007461
RECORD_TITLE: 4-PROPOXYBENZOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-PROPOXYBENZOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O3Si
CH$EXACT_MASS: 252.11817
CH$SMILES: CCCOc(c1)ccc(c1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C13H20O3Si/c1-5-10-15-12-8-6-11(7-9-12)13(14)16-17(2,3)4/h6-9H,5,10H2,1-4H3
CH$LINK: INCHIKEY KDBNKAABHTUJBG-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-000j-4980000000-ce5dcb9aafb4267d61f1
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  43 8.3 83
  45 3.3 33
  47 2.5 25
  50 0.13 1
  63 2.5 25
  64 7.1 71
  65 12.2 122
  73 0.81 8
  75 14.5 145
  76 4.4 44
  77 2.7 27
  89 0.13 1
  92 8.1 81
  93 14.5 145
  103 1.3 13
  104 0.22 2
  120 1.6 16
  121 45.5 455
  122 6.7 67
  151 2.06 21
  163 23.4 234
  164 2.5 25
  166 1.6 16
  193 4.24 42
  194 9.4 94
  195 71.7 717
  196 10 100
  197 0.3 3
  237 99.99 999
  238 18.4 184
  239 6.1 61
  251 0.16 2
  252 35.7 357
  253 5.5 55
  254 1.6 16
//

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