ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003263
RECORD_TITLE: 2-HEPTADECYL IMIDAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-HEPTADECYL IMIDAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀N₂
CH$EXACT_MASS: 308.31915
CH$SMILES: CCCCCCCCCCCCCCCCCC(N1)=NCC1
CH$IUPAC: InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)
CH$LINK: INCHIKEY NCVGSSQICKMAIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0043769

AC$INSTRUMENT: HITACHI RMU-7
AC$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$SPLASH: splash10-0012-9300000000-fe7b5335453085909b7f
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41 22 220
  42 10 100
  43 27 270
  44 9 90
  54 7 70
  55 20 200
  56 8 80
  57 12 120
  69 7 70
  82 16 160
  83 7 70
  84 99.99 999
  85 18 180
  95 10 100
  96 7 70
  97 74 740
  98 38 380
  110 7 70
  111 21 210
  124 6 60
  125 14 140
  126 8 80
  139 38 380
  153 15 150
  167 11 110
  181 9 90
  195 10 100
  209 8 80
  223 7 70
  279 8 80
  307 20 200
  308 15 150
//