ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004591
RECORD_TITLE: N-ISOBUTYL 9-(PARA-PHENOXYPHENYL)-2,4-NONADIENAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ISOBUTYL 9-(PARA-PHENOXYPHENYL)-2,4-NONADIENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₃₁NO₂
CH$EXACT_MASS: 377.23548
CH$SMILES: CC(C)CNC(=O)C=CC=CCCCCc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C25H31NO2/c1-21(2)20-26-25(27)15-11-6-4-3-5-8-12-22-16-18-24(19-17-22)28-23-13-9-7-10-14-23/h4,6-7,9-11,13-19,21H,3,5,8,12,20H2,1-2H3,(H,26,27)/b6-4+,15-11+
CH$LINK: INCHIKEY OTARDPWABOQJQA-OKOYHYLBSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0fc3-5922000000-af125467c3769ec4aa83
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  39 8.06 81
  40 2.47 25
  41 19.71 197
  42 2.17 22
  43 6.5 65
  44 4.03 40
  51 10.51 105
  53 11.24 112
  55 28.72 287
  56 5.49 55
  57 27.83 278
  58 2.27 23
  60 10.51 105
  65 7.99 80
  66 12.7 127
  67 9.86 99
  68 2.3 23
  69 4.06 41
  71 2.5 25
  72 3.55 36
  74 4.17 42
  77 41.65 417
  78 6.96 70
  79 9.37 94
  80 2.49 25
  81 15.71 157
  82 4.11 41
  83 3.26 33
  84 2.19 22
  85 4.24 42
  86 2.06 21
  89 3.57 36
  90 4.13 41
  91 11.95 120
  93 3.44 34
  94 7 70
  95 5.55 56
  96 8.38 84
  98 7.89 79
  100 4.28 43
  103 3 30
  104 2.93 29
  107 18.65 187
  108 2.95 30
  109 2.25 23
  110 3.23 32
  115 32.81 328
  116 16.44 164
  117 8.04 80
  118 2.11 21
  121 2.44 24
  126 4.89 49
  127 2.7 27
  128 10.57 106
  129 7.95 80
  130 3.75 38
  131 2.7 27
  138 2.79 28
  141 31.75 318
  142 5.26 53
  143 2.66 27
  152 32.27 323
  153 27.6 276
  154 32.95 330
  155 10.59 106
  156 3.19 32
  161 3.9 39
  165 2.07 21
  166 4.48 45
  167 2.89 29
  168 5.51 55
  169 6.6 66
  170 7.75 78
  180 8.77 88
  181 9.82 98
  182 2.91 29
  183 99.99 999
  184 19.69 197
  185 3.23 32
  194 47.56 476
  195 7.32 73
  196 15.21 152
  197 6.7 67
  207 2.85 29
  209 15.49 155
  210 6.49 65
  211 2.07 21
  212 3.64 36
  221 2.44 24
  222 2.79 28
  223 4.14 41
  233 2.08 21
  235 5.08 51
  236 4.91 49
  237 4.28 43
  238 2.2 22
  240 3.08 31
  249 2.08 21
  250 4.85 49
  254 2.2 22
  262 23.71 237
  263 7.35 74
  276 14.39 144
  277 13.79 138
  278 8.02 80
  296 3.41 34
  304 3.32 33
  305 11.1 111
  306 2.87 29
  309 9.73 97
  310 2.49 25
  322 6.05 61
  376 2.41 24
  377 71.81 718
  378 21.86 219
  379 3.56 36
//