ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009972
RECORD_TITLE: METHYL 2,6-DIMETHYL-9-(N-METHYLPIPERAZINYLCARBAMOYL)-6-NONENOATE; 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$NAME: METHYL 2,6-DIMETHYL-9-(N-METHYLPIPERAZINYLCARBAMOYL)-6-NONENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂N₂O₃
CH$EXACT_MASS: 324.24129
CH$SMILES: COC(=O)C(C)CCCC(C)=CCCC(=O)N(C1)CCN(C)C1
CH$IUPAC: InChI=1S/C18H32N2O3/c1-15(7-5-9-16(2)18(22)23-4)8-6-10-17(21)20-13-11-19(3)12-14-20/h8,16H,5-7,9-14H2,1-4H3/b15-8+
CH$LINK: INCHIKEY YOOYZUUMVILRGI-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$SPLASH: splash10-05fr-9101000000-8cc3811532666396ae4f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  28 52.5 525
  32 12.7 127
  43 19.8 198
  44 2.23 22
  56 23.8 238
  57 34.8 348
  58 52.2 522
  70 99.99 999
  71 17.2 172
  83 31.1 311
  98 49.8 498
  99 4.69 47
  101 28.3 283
  166 19.8 198
  185 0.3 3
  209 1.3 13
  324 51.9 519
//