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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003405

BENZANTHRONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003405
RECORD_TITLE: BENZANTHRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BENZANTHRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H10O
CH$EXACT_MASS: 230.07316
CH$SMILES: c(c4)cc(c(=O)1)c(c4)c(c3)c(c2cc3)c(ccc2)1
CH$IUPAC: InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H
CH$LINK: INCHIKEY HUKPVYBUJRAUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8052566

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f89-1290000000-d6c0452c9631ee953792
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 4.1 41
  44 4.1 41
  50 4 40
  57 4.1 41
  75 4.1 41
  76 4.1 41
  87 4.1 41
  88 0.83 8
  100 12 120
  101 17.5 175
  115 4.1 41
  150 0.4 4
  151 4 40
  152 6.1 61
  180 7.2 72
  200 1.61 16
  201 12.4 124
  202 35.9 359
  203 6.4 64
  208 0.87 9
  230 99.99 999
  231 18.8 188
//

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