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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007148

BENZOYLACETONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007148
RECORD_TITLE: BENZOYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZOYLACETONE
CH$NAME: 1-PHENYL-1,3-BUTANEDIONE
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: CAS 93-91-4
CH$LINK: INCHIKEY CVBUKMMMRLOKQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021803

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0cfu-9500000000-4c8eabc1396875b174a8
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 1.32 13
  15 4.89 49
  18 2.27 23
  26 1.29 13
  27 6.79 68
  29 3.47 35
  31 2.45 25
  38 2.07 21
  39 10.62 106
  41 3.75 38
  42 4.05 41
  43 53.93 539
  44 1.21 12
  50 12.96 130
  51 46.92 469
  52 3.83 38
  53 1.85 19
  55 3.43 34
  62 2.46 25
  63 5.83 58
  64 1.54 15
  65 7.2 72
  66 1.67 17
  67 2.15 22
  69 79.7 797
  70 2.48 25
  74 5.49 55
  75 4.13 41
  76 5.43 54
  77 78.38 784
  78 13.91 139
  79 2.51 25
  85 15.53 155
  86 1.6 16
  89 3.49 35
  90 1.74 17
  91 7.95 80
  92 1.22 12
  102 1.97 20
  103 3.21 32
  105 99.99 999
  106 5.77 58
  115 1.53 15
  120 5.93 59
  145 1.43 14
  147 49.66 497
  148 4.06 41
  160 1.04 10
  161 32.07 321
  162 59.71 597
  163 5.43 54
//

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