ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009970
RECORD_TITLE: METHYL 2,6-DIMETHYL-9-(N-METHYLPIPERAZINYLCARBAMOYL)-2,6-NONADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,6-DIMETHYL-9-(N-METHYLPIPERAZINYLCARBAMOYL)-2,6-NONADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀N₂O₃
CH$EXACT_MASS: 322.22564
CH$SMILES: COC(=O)C(C)=CCCC(C)=CCCC(=O)N(C1)CCN(C)C1
CH$IUPAC: InChI=1S/C18H30N2O3/c1-15(7-5-9-16(2)18(22)23-4)8-6-10-17(21)20-13-11-19(3)12-14-20/h8-9H,5-7,10-14H2,1-4H3/b15-8+,16-9+
CH$LINK: INCHIKEY UJSXGCPFSPWPNB-BVXMOGEKSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0aba-9320000000-67a8108e2d75889e5a30
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  27 5.9 59
  28 2.2 22
  29 6.4 64
  30 0.47 5
  39 5.5 55
  41 13.4 134
  42 20.6 206
  43 2.58 26
  44 19.1 191
  45 4.2 42
  53 11.6 116
  54 0.47 5
  55 14.8 148
  56 39.2 392
  57 28.1 281
  58 4.69 47
  59 8 80
  67 8 80
  68 4.7 47
  69 0.61 6
  70 99.99 999
  71 14.7 147
  72 4.1 41
  73 0.28 3
  77 1.9 19
  79 5.2 52
  80 5.8 58
  81 1.58 16
  82 5.8 58
  83 24.4 244
  84 4.8 48
  85 0.72 7
  91 0.5 5
  93 2.7 27
  95 2 20
  96 0.39 4
  97 12.2 122
  98 41.6 416
  99 50.8 508
  100 0.81 8
  101 63.6 636
  102 3.6 36
  105 3.3 33
  107 0.28 3
  109 5.2 52
  110 1.9 19
  111 3.4 34
  112 0.3 3
  113 4.4 44
  114 0.3 3
  121 2.5 25
  122 0.22 2
  125 1.9 19
  127 21.1 211
  128 2.2 22
  135 0.7 7
  140 2 20
  141 1.9 19
  142 3.8 38
  148 0.17 2
  149 0.9 9
  152 8 80
  153 1.9 19
  155 0.77 8
  156 1.7 17
  163 1.9 19
  166 37.5 375
  167 0.55 6
  178 2.2 22
  191 1.3 13
  207 1.6 16
  208 0.25 3
  209 98.6 986
  210 14.5 145
  235 6.7 67
  236 0.19 2
  255 6.6 66
  262 4.1 41
  263 1.9 19
  266 0.19 2
  281 1.4 14
  291 4.5 45
  320 4.7 47
  322 1.25 13
  323 2 20
  368 1.4 14
//