MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007145

BUTYROPHENONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007145
RECORD_TITLE: BUTYROPHENONE; 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$NAME: BUTYROPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: CCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: CAS 495-40-9
CH$LINK: INCHIKEY FFSAXUULYPJSKH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047059

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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$SPLASH: splash10-0a4i-6900000000-fac46dd712294eda9140
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 6.19 62
  39 4.81 48
  41 3.92 39
  43 2.15 22
  50 5.75 58
  51 18.48 185
  52 1.18 12
  55 1.4 14
  65 1.03 10
  74 1.37 14
  75 1 10
  76 1.81 18
  77 48.94 489
  78 4.96 50
  91 1.41 14
  105 99.99 999
  106 7.68 77
  120 8.01 80
  133 1.11 11
  148 16.31 163
  149 1.56 16
//