ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011177
RECORD_TITLE: 3-METHYLBENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYLBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O
CH$EXACT_MASS: 196.08882
CH$SMILES: Cc(c2)cc(cc2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3
CH$LINK: INCHIKEY URBLVRAVOIVZFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40214528

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0691-8900000000-ff3726000289e47013f8
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  38 2.8 28
  39 24.5 245
  40 4 40
  41 6.1 61
  43 1.2 12
  44 1.2 12
  50 14.9 149
  51 46.6 466
  52 4.6 46
  53 2.2 22
  62 5.9 59
  63 19.5 195
  64 5.7 57
  65 49.6 496
  66 2.9 29
  74 4.8 48
  75 5.3 53
  76 7.3 73
  77 75 750
  78 7.3 73
  82 1.2 12
  83 2.4 24
  84 2.8 28
  86 1.7 17
  87 2.2 22
  89 16 160
  90 8.4 84
  91 73.5 735
  92 8.4 84
  98 1.7 17
  102 1 10
  105 80.3 803
  106 7.3 73
  115 3.3 33
  118 1.2 12
  119 99.99 999
  120 14.8 148
  121 1.3 13
  126 1.2 12
  128 1.3 13
  136 5.9 59
  139 2.7 27
  151 1.9 19
  152 8.2 82
  153 3.3 33
  163 1.3 13
  164 1.7 17
  165 9.2 92
  166 2.7 27
  167 4.3 43
  168 4.7 47
  181 30.3 303
  182 5.8 58
  185 1.1 11
  186 2 20
  195 7.8 78
  196 97.6 976
  197 19.1 191
  198 1.9 19
//