ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006774
RECORD_TITLE: 1-BENZOYL-2-PROPANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 1-BENZOYL-2-PROPANONE
CH$NAME: BENZOYLACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O2
CH$EXACT_MASS: 162.06808
CH$SMILES: CC(=O)CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: INCHIKEY CVBUKMMMRLOKQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021803
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0cfr-9500000000-a52c0b656bd609b3c73a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 3.17 32
  27 4.33 43
  29 1.77 18
  31 1.53 15
  39 7.26 73
  41 2.56 26
  42 1.89 19
  43 48.72 487
  50 9.16 92
  51 29.91 299
  52 3.54 35
  55 2.44 24
  63 3.6 36
  65 6.17 62
  69 83.88 839
  70 2.56 26
  73.5 1.83 18
  74 3.11 31
  75 2.75 28
  76 3.85 39
  77 71.55 716
  78 16.42 164
  79 2.99 30
  85 18.93 189
  89 2.2 22
  91 5.19 52
  103 2.44 24
  105 99.99 999
  106 7.69 77
  115 1.1 11
  120 7.14 71
  147 31.81 318
  148 3.17 32
  161 20.57 206
  162 33.03 330
  163 4.52 45
//
