ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000219
RECORD_TITLE: META NITRO ANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META NITRO ANISOLE
CH$NAME: META METHOXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₃
CH$EXACT_MASS: 153.04259
CH$SMILES: COc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY WGYFINWERLNPHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060295

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-116u-9400000000-3b71dc345dca901702ac
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.81 18
  27 2.63 26
  28 2.44 24
  29 1.38 14
  30 4.56 46
  37 2.5 25
  38 9.75 98
  39 7.19 72
  41 5.31 53
  43 1.88 19
  50 15.31 153
  51 9.88 99
  52 4.38 44
  53 4 40
  61 2 20
  62 5.94 59
  63 28.81 288
  64 44.38 444
  65 6.56 66
  74 5.56 56
  75 5.13 51
  76 8.5 85
  77 99.99 999
  78 8.13 81
  79 5.63 56
  80 2.88 29
  92 72.5 725
  93 6.25 63
  95 26.44 264
  96 1.88 19
  107 57.81 578
  108 6.06 61
  120 3.5 35
  121 2.69 27
  123 6.69 67
  137 1.25 13
  138 1.44 14
  153 96.56 966
  154 7.94 79
//