ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001857
RECORD_TITLE: 1-OCTADEC-CIS-9-ENOYLPYRROLIDINE; 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$NAME: 1-OCTADEC-CIS-9-ENOYLPYRROLIDINE
CH$NAME: N-OLEOYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₁NO
CH$EXACT_MASS: 335.31881
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCCC(=O)N(C1)CCC1
CH$IUPAC: InChI=1S/C22H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h9-10H,2-8,11-21H2,1H3/b10-9-
CH$LINK: INCHIKEY KEMZFVSIIGZOCH-KTKRTIGZSA-N

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$SPLASH: splash10-03fr-1900000000-5bfa97923f33db159ad1
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  95 1.3 13
  97 1.1 11
  98 19.4 194
  99 2.1 21
  112 2.1 21
  113 99.99 999
  114 7.6 76
  126 49.6 496
  127 10.7 107
  140 5.9 59
  141 1.8 18
  154 2.3 23
  168 4.8 48
  169 1 10
  180 1.6 16
  182 6.6 66
  183 1.1 11
  194 1.2 12
  196 1.8 18
  208 1.8 18
  222 2.5 25
  236 4 40
  250 3.6 36
  264 1.7 17
  278 1.1 11
  292 1.1 11
  306 0.7 7
  320 0.1 1
  335 5.7 57
  336 1.6 16
//