ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002789
RECORD_TITLE: NIALAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: NIALAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈N₄O₂
CH$EXACT_MASS: 298.14298
CH$SMILES: O=C(CCNNC(=O)c(c2)ccnc2)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
CH$LINK: INCHIKEY NOIIUHRQUVNIDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023362

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-056u-9500000000-09562bed5beb21b860eb
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  26 4.9 49
  27 15.9 159
  28 69.9 699
  29 0.37 4
  30 13.7 137
  31 2.7 27
  32 15.3 153
  36 0.41 4
  37 2 20
  38 2.9 29
  39 9.7 97
  40 0.23 2
  41 6.9 69
  42 4.9 49
  43 9 90
  44 5.59 56
  45 11.1 111
  49 2.3 23
  50 14.4 144
  51 3.91 39
  52 9.8 98
  53 3.1 31
  54 1.8 18
  55 1.99 20
  56 2.8 28
  57 3.8 38
  58 1.9 19
  59 0.39 4
  60 0.9 9
  61 0.4 4
  62 1.3 13
  63 0.39 4
  64 2.4 24
  65 16.3 163
  66 2.4 24
  67 0.16 2
  68 0.3 3
  69 2 20
  70 7.9 79
  71 0.23 2
  72 1.7 17
  73 1.3 13
  74 1.9 19
  75 0.29 3
  76 4.1 41
  77 16.3 163
  78 47.3 473
  79 0.25 3
  80 2.9 29
  81 0.9 9
  82 0.8 8
  83 0.02 0
  84 2.3 23
  85 2.3 23
  86 1.2 12
  87 0.02 0
  88 0.9 9
  89 3.9 39
  90 2.6 26
  91 99.99 999
  92 8.9 89
  93 2.3 23
  94 1.3 13
  95 0.19 2
  96 0.3 3
  103 3.1 31
  104 12.5 125
  105 0.07 1
  106 82.2 822
  107 22 220
  108 3.9 39
  109 0.08 1
  114 0.3 3
  115 2.1 21
  116 2.2 22
  117 0.94 9
  118 5.3 53
  119 2.3 23
  120 1.1 11
  121 0.13 1
  122 11.9 119
  123 14.8 148
  124 2.3 23
  125 0.11 1
  130 1.1 11
  131 1 10
  132 3.9 39
  133 0.31 3
  134 1.7 17
  135 1.7 17
  136 0.1 1
  137 0.06 1
  138 1.6 16
  143 0.3 3
  144 2 20
  145 0.11 1
  146 1.3 13
  147 2 20
  148 4.9 49
  149 1.16 12
  150 7.3 73
  151 1.9 19
  159 1.7 17
  160 0.39 4
  161 11.3 113
  162 3.5 35
  163 1.7 17
  164 0.13 1
  172 1.2 12
  173 0.4 4
  174 1.9 19
  175 0.13 1
  176 4.6 46
  177 26.7 267
  178 5.3 53
  179 0.09 1
  180 0.3 3
  189 1.9 19
  190 0.9 9
  191 0.08 1
  192 0.3 3
  298 2.7 27
  299 1.1 11
  300 0.2 2
//