ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009677
RECORD_TITLE: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE; 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$NAME: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.10519
CH$SMILES: CCOC(=O)c(c1)cc(C)c(C(N)=O)c(C)1
CH$IUPAC: InChI=1S/C12H15NO3/c1-4-16-12(15)9-5-7(2)10(11(13)14)8(3)6-9/h5-6H,4H2,1-3H3,(H2,13,14)
CH$LINK: INCHIKEY LURKQVNXGQMQEE-UHFFFAOYSA-N

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$SPLASH: splash10-00b9-9870000000-531267392f200aedef02
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  26 2.3 23
  27 15.8 158
  29 18.8 188
  30 0.25 3
  31 1 10
  39 10.6 106
  40 1 10
  41 0.4 4
  42 3.8 38
  43 13.3 133
  44 23 230
  45 0.4 4
  50 2.9 29
  51 10.9 109
  52 4.4 44
  53 0.59 6
  54 1.1 11
  55 2.7 27
  57 1.9 19
  62 0.63 6
  63 8.5 85
  64 2.7 27
  65 8 80
  66 0.21 2
  67 1.8 18
  69 1.5 15
  74 1.6 16
  75 0.23 2
  76 3 30
  77 34.9 349
  78 13 130
  79 1.35 14
  80 3 30
  87 1.2 12
  88 1.1 11
  89 0.34 3
  90 1.2 12
  91 12 120
  92 2.3 23
  93 0.58 6
  101 1 10
  102 5.2 52
  103 27.6 276
  104 1.59 16
  105 11.2 112
  106 6.8 68
  107 1.3 13
  116 0.1 1
  117 2.4 24
  118 3 30
  119 2.5 25
  120 0.69 7
  121 5.8 58
  130 3.9 39
  131 9 90
  132 1.09 11
  133 7.4 74
  146 1 10
  147 4.3 43
  148 0.94 9
  149 15.1 151
  150 2.4 24
  158 2.1 21
  160 0.12 1
  162 1 10
  175 1.6 16
  176 76.6 766
  177 2.39 24
  178 2.9 29
  192 2.8 28
  193 4.3 43
  204 7.95 80
  205 47.6 476
  206 9.8 98
  207 1.1 11
  220 0.13 1
  221 99.99 999
  222 15.1 151
  223 1.7 17
//