ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009666
RECORD_TITLE: ETHYL 3-NITROBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-NITROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉NO₄
CH$EXACT_MASS: 195.05316
CH$SMILES: CCOC(=O)c(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
CH$LINK: INCHIKEY MKBIJCPQTPFQKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060692

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0ufr-7900000000-fb2d1c43712ed1e5f80a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 14.1 141
  29 24.3 243
  30 0.82 8
  38 1.9 19
  39 5.9 59
  43 2 20
  45 1.43 14
  50 26.1 261
  51 7 70
  53 1.9 19
  62 0.1 1
  63 4 40
  64 3.9 39
  65 27.9 279
  66 0.18 2
  74 8.2 82
  75 21.2 212
  76 49.4 494
  77 0.73 7
  81 2.3 23
  92 7.7 77
  93 4.2 42
  103 0.77 8
  104 41.2 412
  105 3.9 39
  120 1.5 15
  121 2.58 26
  122 4.6 46
  134 13.2 132
  135 29.1 291
  136 0.26 3
  137 5.8 58
  149 2 20
  150 99.99 999
  151 2.36 24
  152 2.3 23
  165 1.2 12
  167 21.9 219
  168 0.34 3
  178 3.7 37
  179 1.2 12
  195 34.2 342
  196 3.9 39
//