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MassBank Record: JP001597

ANTHRACENE; EI-B; MS

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

ACCESSION: JP001597
RECORD_TITLE: ANTHRACENE; 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$NAME: ANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c3)cc(c1)c(c3)cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
CH$LINK: CAS 120-12-7
CH$LINK: INCHIKEY MWPLVEDNUUSJAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023878

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-004i-8900000000-4f166b284ab6771751db
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50 4.28 43
  51 5.64 56
  61 1.14 11
  62 5.01 50
  63 14.42 144
  74 5.22 52
  75 15.15 152
  76 40.64 406
  77 2.82 28
  86 1.67 17
  87 5.53 55
  88 22.04 220
  89 32.91 329
  98 1.77 18
  99 1.25 13
  126 1.56 16
  150 5.43 54
  151 7.62 76
  152 8.77 88
  174 1.77 18
  175 3.03 30
  176 18.59 186
  177 13.37 134
  178 99.99 999
  179 16.61 166
//

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