ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011224
RECORD_TITLE: ALPHA-PHENYL-ORTHO-TOLUIC ACID; EI-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

CH$NAME: ALPHA-PHENYL-ORTHO-TOLUIC ACID
CH$NAME: 2-CARBOXYDIPHENYLMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₂
CH$EXACT_MASS: 212.08373
CH$SMILES: OC(=O)c(c2)c(ccc2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
CH$LINK: INCHIKEY FESDHLLVLYZNFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20210104

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-0900000000-50490eed0d4eca7d7848
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  40 0.6 6
  43 0.4 4
  44 0.5 5
  45 0.3 3
  51 0.4 4
  55 0.6 6
  60 0.3 3
  65 1.5 15
  69 0.3 3
  77 2.1 21
  78 0.7 7
  79 0.4 4
  81 0.3 3
  89 0.7 7
  90 0.8 8
  91 3.5 35
  92 0.4 4
  105 2.7 27
  106 0.3 3
  115 0.4 4
  118 0.7 7
  128 0.4 4
  133 2 20
  134 1.3 13
  135 0.3 3
  136 1 10
  137 0.5 5
  139 0.3 3
  141 0.3 3
  149 0.3 3
  151 0.3 3
  152 3.1 31
  153 0.7 7
  164 0.7 7
  165 37.5 375
  166 8.7 87
  167 3.7 37
  168 0.5 5
  177 0.4 4
  178 0.3 3
  193 7.9 79
  194 99.99 999
  195 16.4 164
  196 1.4 14
  212 15.9 159
  213 2.5 25
  214 0.3 3
//