ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003418
RECORD_TITLE: O-NITROANISOLE; 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$NAME: O-NITROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₃
CH$EXACT_MASS: 153.04259
CH$SMILES: COc(c1)c(ccc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY CFBYEGUGFPZCNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020962

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$SPLASH: splash10-0ab9-9800000000-22149ee1beffbc2235d2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50 11 110
  51 23.9 239
  52 8.8 88
  53 6 60
  62 6.1 61
  63 22.3 223
  64 2.62 26
  65 21.5 215
  74 5.4 54
  76 7.8 78
  77 8.12 81
  78 29.2 292
  79 7.2 72
  80 6.1 61
  92 4.78 48
  93 16.2 162
  95 16.8 168
  106 99.99 999
  107 0.85 9
  108 4.9 49
  123 65.6 656
  124 8.5 85
  153 6.59 66
  154 6.6 66
//