MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007137

ACETOPHENONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007137
RECORD_TITLE: ACETOPHENONE; 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

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CH$NAME: ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: CAS 98-86-2
CH$LINK: INCHIKEY KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021828

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a6r-9600000000-558d4c95783742599522
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.57 26
  27 2.18 22
  37 1.03 10
  38 2.36 24
  39 5.65 57
  42 1.37 14
  43 15.81 158
  49 1.07 11
  50 14.24 142
  51 31.73 317
  52 2.43 24
  53 1.1 11
  62 1.53 15
  63 2.42 24
  65 1.72 17
  74 4.68 47
  75 2.17 22
  76 2.8 28
  77 79.8 798
  78 8.19 82
  91 1.44 14
  105 99.99 999
  106 8 80
  120 29.91 299
  121 1.98 20
//