ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005118
RECORD_TITLE: 3-DIMETHYLAMINOMETHYL-4-METHYLPHENYLAMINO-2(5H)-FURANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-DIMETHYLAMINOMETHYL-4-METHYLPHENYLAMINO-2(5H)-FURANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18N2O2
CH$EXACT_MASS: 246.13683
CH$SMILES: CN(C)CC(C(=O)2)=C(CO2)N(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H18N2O2/c1-15(2)9-12-13(10-18-14(12)17)16(3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
CH$LINK: COMPTOX DTXSID50702047
CH$LINK: INCHIKEY FTYPFXXOUHSABS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:53439627
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 23 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0uec-2980000000-81b46582bd0f90816374
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  41 0.41 4
  42 2.64 26
  43 0.38 4
  44 42.03 420
  45 1.7 17
  46 1.42 14
  53 0.5 5
  55 3.94 39
  56 0.61 6
  57 1.99 20
  58 10.53 105
  59 0.47 5
  66 5.14 51
  67 0.68 7
  68 1.26 13
  69 0.99 10
  70 0.43 4
  72 0.44 4
  77 0.86 9
  79 0.47 5
  80 1.67 17
  81 2.6 26
  82 1.48 15
  83 0.92 9
  84 0.57 6
  91 8.15 82
  92 0.88 9
  93 0.55 6
  94 5.59 56
  95 3.57 36
  96 20.5 205
  97 1.73 17
  98 1.56 16
  103 1.37 14
  104 2.56 26
  105 2.02 20
  106 3.11 31
  107 41 410
  108 4.03 40
  109 0.71 7
  110 0.45 5
  111 9.22 92
  112 38.89 389
  113 2.53 25
  114 0.3 3
  115 1.35 14
  116 0.88 9
  117 3.07 31
  118 3.39 34
  119 0.6 6
  120 6.51 65
  121 0.75 8
  122 1.29 13
  123 0.49 5
  124 0.95 10
  125 0.31 3
  126 0.97 10
  127 0.34 3
  128 1.04 10
  129 2.87 29
  130 4.35 44
  131 6.37 64
  132 4.59 46
  133 0.66 7
  134 0.9 9
  137 1.01 10
  138 1.06 11
  139 0.52 5
  140 70.43 704
  141 7.13 71
  142 2 20
  143 16.55 166
  144 14.89 149
  145 4.94 49
  146 6.51 65
  147 0.89 9
  148 18.47 185
  149 2.22 22
  153 0.81 8
  154 0.55 6
  155 5.23 52
  156 27.52 275
  157 10.8 108
  158 54.51 545
  159 8.78 88
  160 1.09 11
  168 0.53 5
  169 0.51 5
  170 0.84 8
  171 0.99 10
  172 9.38 94
  173 3.66 37
  174 4.94 49
  175 1.03 10
  184 1.04 10
  185 1.3 13
  186 1.47 15
  187 3.81 38
  188 2.23 22
  189 0.46 5
  199 1.37 14
  200 12.88 129
  201 31.87 319
  202 94.51 945
  203 70.01 700
  204 10.37 104
  205 1.03 10
  213 0.8 8
  214 0.33 3
  215 0.66 7
  216 0.56 6
  217 0.47 5
  227 0.54 5
  229 0.33 3
  230 0.27 3
  231 99.99 999
  232 17.89 179
  233 2.01 20
  245 6.03 60
  246 48.63 486
  247 10.38 104
  248 1.16 12
//
