ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004228
RECORD_TITLE: 4-PHENYLAZOBENZOIC ACID METHYL ESTER; 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$NAME: 4-PHENYLAZOBENZOIC ACID METHYL ESTER
CH$NAME: AZOBENZENE-4-CARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂N₂O₂
CH$EXACT_MASS: 240.08988
CH$SMILES: COC(=O)c(c1)ccc(N=Nc(c2)cccc2)c1
CH$IUPAC: InChI=1S/C14H12N2O2/c1-18-14(17)11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10H,1H3/b16-15+
CH$LINK: INCHIKEY SUFXZYCPKGRJIZ-FOCLMDBBSA-N
CH$LINK: COMPTOX DTXSID60297858

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-004i-9720000000-e0cb8db324687f4bb968
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  50 7.1 71
  51 13.8 138
  63 3 30
  64 0.3 3
  65 2.7 27
  75 4.7 47
  76 9.1 91
  77 99.99 999
  78 7.4 74
  79 1.6 16
  92 4.4 44
  103 1.35 14
  104 5.7 57
  105 40 400
  106 2.3 23
  119 0.33 3
  120 6.7 67
  135 47.1 471
  136 4 40
  151 0.16 2
  152 7.1 71
  153 4 40
  163 9.4 94
  209 0.47 5
  240 33.5 335
  241 5 50
  242 2.3 23
//