ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009961
RECORD_TITLE: 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE; 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$NAME: 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H32N2O2
CH$EXACT_MASS: 308.24638
CH$SMILES: CC(=O)C(C)CCCC(C)=C([H])CCC(=O)N(C1)CCN(C)C1
CH$IUPAC: InChI=1S/C18H32N2O2/c1-15(7-5-9-16(2)17(3)21)8-6-10-18(22)20-13-11-19(4)12-14-20/h8,16H,5-7,9-14H2,1-4H3/b15-8+
CH$LINK: INCHIKEY QMADJUVVKFXMDJ-OVCLIPMQSA-N
AC$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: splash10-0a4j-9101000000-110c98ae6ec5e5593c65
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  29 4.9 49
  30 2.5 25
  41 8.7 87
  42 1.38 14
  43 43.7 437
  44 39.1 391
  53 2.8 28
  55 1.36 14
  56 35.9 359
  57 59.8 598
  58 85.9 859
  59 0.35 4
  67 6.6 66
  68 2.7 27
  69 7.8 78
  70 99.99 999
  71 26.4 264
  72 6.5 65
  79 5.1 51
  81 0.85 9
  82 5.7 57
  83 49.8 498
  84 6.8 68
  85 1.1 11
  86 1.9 19
  93 4 40
  95 8.2 82
  96 0.21 2
  97 12.3 123
  98 76.9 769
  99 76.6 766
  100 2.4 24
  101 46 460
  102 3.2 32
  107 1.6 16
  108 0.17 2
  109 3.3 33
  110 3.2 32
  111 3.5 35
  112 0.32 3
  113 3.2 32
  124 5.1 51
  125 1.7 17
  127 1.36 14
  128 3.5 35
  137 1.6 16
  138 1.6 16
  140 0.14 1
  141 3.5 35
  142 15.5 155
  143 1.3 13
  149 0.19 2
  152 9.5 95
  153 3.3 33
  155 3.3 33
  166 3.61 36
  167 6.5 65
  180 10.9 109
  181 1.6 16
  194 0.71 7
  195 1.9 19
  208 2.1 21
  209 25 250
  210 0.46 5
  222 4.4 44
  223 4.3 43
  224 4.7 47
  237 2.5 25
  238 3.5 35
  251 1.3 13
  252 6.3 63
  265 0.51 5
  293 1.7 17
  307 1.9 19
  308 83.5 835
  309 1.85 19
  400 2.1 21
  407 1.9 19
//
