ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011297
RECORD_TITLE: 3-METHYLBENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$LINK: CAS 643-65-2
CH$LINK: INCHIKEY URBLVRAVOIVZFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40214528

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-016s-8900000000-bd57f16f02845a6b099c
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  14 1.94 19
  16 1.06 11
  18 2.27 23
  27 2.84 28
  28 13.95 140
  32 3.33 33
  38 2.29 23
  39 15.69 157
  40 1.18 12
  41 3.75 38
  50 12.83 128
  51 37.23 372
  52 3.71 37
  61 1.07 11
  62 5.26 53
  63 15 150
  64 4.52 45
  65 36.82 368
  66 2.06 21
  74 5.37 54
  75 5 50
  76 5.63 56
  77 71.97 720
  78 5.73 57
  86 1.94 19
  87 2.36 24
  89 13.13 131
  90 6.28 63
  91 56.06 561
  92 4.73 47
  98 1.01 10
  102 1.07 11
  105 63.68 637
  106 5.09 51
  115 3.42 34
  119 99.99 999
  120 9.02 90
  126 1.24 12
  128 1.27 13
  139 2.94 29
  141 1.11 11
  151 1.88 19
  152 7.54 75
  153 2.67 27
  163 1.46 15
  164 1.45 15
  165 9.92 99
  166 2.47 25
  167 4.5 45
  168 4.72 47
  181 18.92 189
  182 3.48 35
  194 1.17 12
  195 5.16 52
  196 88.04 880
  197 13.37 134
  198 1.27 13
//