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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002146

PARA-(ALPHA-METHYLBENZYL)PHENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002146
RECORD_TITLE: PARA-(ALPHA-METHYLBENZYL)PHENOL; 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$NAME: PARA-(ALPHA-METHYLBENZYL)PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O
CH$EXACT_MASS: 198.10447
CH$SMILES: Oc(c2)ccc(c2)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3
CH$LINK: INCHIKEY XHASMJXNUHCHBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20862809

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$SPLASH: splash10-001i-5900000000-d67bcb715aec85ab57fb
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  44 10 100
  45 6.1 61
  51 6.1 61
  55 1.93 19
  56 10.2 102
  57 15.2 152
  67 0.68 7
  69 12.1 121
  70 7.5 75
  71 7.8 78
  75 10.2 102
  77 0.86 9
  78 6.8 68
  79 5 50
  81 6.4 64
  82 0.58 6
  83 8.3 83
  84 5.8 58
  91 8.3 83
  94 0.58 6
  97 5.7 57
  149 9.5 95
  165 25.7 257
  183 99.99 999
  184 15.1 151
  198 51.9 519
  199 9.3 93
//

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