ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009463
RECORD_TITLE: 1-CARBOXYPHENAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-CARBOXYPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₈N₂O₂
CH$EXACT_MASS: 224.05858
CH$SMILES: OC(=O)c(c3)c(n1)c(cc3)nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
CH$LINK: INCHIKEY JGCSKOVQDXEQHI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30180026

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-001i-4900000000-16e3cd0ea477a37b7d29
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  50 12 120
  51 13 130
  52 4.5 45
  55 1 10
  57 1 10
  61 2 20
  63 6 60
  64 1.5 15
  65 1 10
  69 1 10
  71 0.5 5
  74 2 20
  75 9.5 95
  76 6.5 65
  77 3 30
  78 1 10
  89 1 10
  90 7.5 75
  99 0.5 5
  100 1 10
  101 1 10
  102 5.5 55
  103 3 30
  125 3 30
  126 1.5 15
  127 2 20
  128 1.5 15
  130 1 10
  140 1 10
  154 2.5 25
  170 1.5 15
  177 0.5 5
  178 1 10
  179 23 230
  180 99.99 999
  181 13 130
  182 1 10
  207 1 10
  224 2.5 25
  225 1 10
  226 0.5 5
//