ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011174
RECORD_TITLE: 4-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$NAME: 4-METHYLBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O
CH$EXACT_MASS: 196.08882
CH$SMILES: Cc(c2)ccc(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
CH$LINK: INCHIKEY WXPWZZHELZEVPO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9037741

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$SPLASH: splash10-014j-7900000000-8e2c0d10d0c7e495a81e
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  38 2 20
  39 19 190
  40 2.7 27
  41 5.4 54
  50 10.9 109
  51 36.9 369
  52 3.3 33
  53 1.3 13
  62 4.3 43
  63 14.5 145
  64 4.1 41
  65 48.6 486
  66 2.8 28
  74 3.8 38
  75 4.1 41
  76 6.8 68
  77 65.9 659
  78 6.7 67
  82 2.1 21
  83 4.8 48
  84 9.4 94
  86 1.3 13
  87 1.7 17
  89 14.9 149
  90 9.2 92
  91 71.9 719
  92 7.8 78
  105 70.6 706
  106 6.9 69
  115 3.2 32
  118 1.7 17
  119 98.5 985
  120 28.2 282
  121 1.8 18
  126 1.1 11
  128 1.4 14
  139 2.4 24
  151 2.2 22
  152 9.6 96
  153 3.7 37
  163 1.4 14
  164 1.8 18
  165 12.1 121
  166 3.3 33
  167 7.7 77
  168 4.5 45
  181 35.3 353
  182 6.1 61
  194 1 10
  195 6.2 62
  196 99.99 999
  197 27.3 273
  198 2.8 28
//