ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001856
RECORD_TITLE: 1-OCTADECANOYLPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA
CH$NAME: 1-OCTADECANOYLPYRROLIDINE
CH$NAME: N-STEAROYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H43NO
CH$EXACT_MASS: 337.33447
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)N(C1)CCC1
CH$IUPAC: InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h2-21H2,1H3
CH$LINK: INCHIKEY AEBDOCOLSSICMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50341652
AC$INSTRUMENT: SHIMADZU QP-1000
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: splash10-03di-0900000000-f30ef03dab3b94dd7582
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  98 7.8 78
  99 1.1 11
  112 1.4 14
  113 99.99 999
  114 7.2 72
  126 18.6 186
  127 3.9 39
  140 2.6 26
  154 1.3 13
  168 2.1 21
  182 1.4 14
  196 0.7 7
  210 0.4 4
  224 0.4 4
  238 0.6 6
  252 0.6 6
  266 0.3 3
  280 0.3 3
  294 0.4 4
  308 0.3 3
  322 0.2 2
  337 1 10
  338 0.2 2
//
