ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010432
RECORD_TITLE: N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₉N₃O₄
CH$EXACT_MASS: 281.13756
CH$SMILES: CCC(CC)Nc(c([N+1]([O-1])=O)1)c([N+1]([O-1])=O)c(C)c(C)c1
CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024245

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0udi-2790000000-9af68c7a73a4585c8e62
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  39 1.65 17
  41 2.74 27
  43 3.71 37
  44 1.1 11
  53 1.83 18
  55 1.54 15
  57 6.02 60
  65 2.25 23
  66 1.58 16
  77 3.14 31
  78 1.56 16
  79 2.05 21
  90 1.26 13
  91 3.65 37
  92 1.96 20
  93 1.36 14
  103 1.55 16
  104 2.31 23
  105 1.83 18
  106 2.45 25
  107 1.35 14
  116 1.45 15
  117 1.69 17
  118 4.2 42
  119 4.06 41
  120 3.19 32
  121 1.25 13
  130 1.86 19
  131 2.33 23
  132 2.34 23
  133 2.63 26
  134 2.32 23
  135 1.37 14
  143 1.22 12
  144 2.96 30
  145 3.02 30
  146 3.2 32
  147 3.29 33
  148 1.98 20
  149 1.03 10
  150 1.22 12
  158 2.11 21
  159 2.67 27
  160 2.41 24
  161 6.03 60
  162 8.96 90
  163 2.14 21
  164 2.23 22
  171 1.29 13
  172 1.51 15
  173 2.18 22
  174 3.74 37
  175 1.8 18
  176 1.66 17
  177 1.13 11
  178 1.17 12
  180 1.3 13
  186 1.02 10
  187 1.37 14
  188 3.45 35
  189 1.48 15
  190 1.91 19
  191 6.35 64
  192 8.33 83
  193 1.98 20
  194 4.14 41
  202 2.72 27
  203 1.06 11
  204 1.31 13
  208 5.68 57
  211 1.32 13
  216 1.94 19
  217 3.4 34
  218 1.55 16
  220 5.45 55
  222 1.14 11
  236 3.81 38
  252 99.99 999
  253 14.73 147
  254 1.83 18
  281 12.75 128
  282 2.27 23
//