ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005693
RECORD_TITLE: ETHYL 4-NITROBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-NITROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉NO₄
CH$EXACT_MASS: 195.05316
CH$SMILES: CCOC(=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
CH$LINK: CAS 99-77-4
CH$LINK: INCHIKEY PHWSCBWNPZDYRI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1052666

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udi-4900000000-81611d5a561c2c0926e0
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  15 0.86 9
  18 0.54 5
  26 1.12 11
  27 6.9 69
  28 2.02 20
  29 12.02 120
  30 6 60
  37 0.45 5
  38 1.3 13
  39 2.93 29
  43 1.31 13
  44 0.24 2
  45 12.04 120
  46 0.99 10
  49 0.32 3
  50 16.38 164
  51 4.02 40
  52 0.42 4
  53 1.42 14
  61 0.41 4
  62 1.03 10
  63 3.42 34
  64 3.77 38
  65 14.38 144
  66 1 10
  73 0.79 8
  74 7.65 77
  75 15.52 155
  76 27.44 274
  77 4.2 42
  78 0.56 6
  79 0.33 3
  81 2.36 24
  82 0.17 2
  91 0.6 6
  92 14.86 149
  93 2.77 28
  94 0.33 3
  103 9.7 97
  104 34.01 340
  105 3.33 33
  106 0.44 4
  107 0.25 3
  108 0.15 2
  109 5.28 53
  110 0.38 4
  119 0.36 4
  120 8.35 84
  121 12.88 129
  122 2.2 22
  123 0.43 4
  134 6.73 67
  135 10.38 104
  136 0.98 10
  137 4.52 45
  138 0.4 4
  148 2.56 26
  149 3.11 31
  150 99.99 999
  151 17.39 174
  152 1.87 19
  153 0.24 2
  167 45.8 458
  168 5.55 56
  169 0.68 7
  177 0.71 7
  178 27.01 270
  179 4.8 48
  180 1.81 18
  194 1.49 15
  195 16.58 166
  196 3.6 36
  197 0.41 4
//