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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009480

9(10H)-ACRIDONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009480
RECORD_TITLE: 9(10H)-ACRIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 9(10H)-ACRIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H9NO
CH$EXACT_MASS: 195.06841
CH$SMILES: O=C(c21)c(c3)c(ccc3)Nc(cccc2)1
CH$IUPAC: InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
CH$LINK: CAS 578-95-0
CH$LINK: INCHIKEY FZEYVTFCMJSGMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060371

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00kb-3900000000-cb9f42be169c6b6da934
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  18 1.84 18
  27 1.18 12
  28 3.58 36
  38 2.02 20
  39 4.03 40
  50 6.16 62
  51 3.6 36
  52 2.08 21
  62 2.84 28
  63 7.24 72
  64 3.85 39
  65 1.79 18
  69 2.03 20
  70 1.21 12
  71 2.27 23
  74 4.02 40
  75 4.38 44
  76 5.23 52
  77 3.56 36
  83 1.61 16
  84 7.88 79
  86 1.21 12
  87 2.31 23
  88 1.84 18
  89 2.45 25
  90 1.78 18
  91 1.14 11
  92 2.27 23
  97 2.16 22
  101 1.05 11
  102 1.45 15
  113 3.92 39
  114 2.37 24
  115 2.89 29
  137 1.13 11
  138 1.97 20
  139 14.78 148
  140 12.62 126
  141 2.01 20
  164 3.16 32
  165 2.22 22
  166 19.1 191
  167 40.8 408
  168 5.58 56
  194 3.3 33
  195 99.99 999
  196 14.98 150
  197 1.14 11
//

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