ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001855
RECORD_TITLE: 1-HEPTADECANOYLPYRROLIDINE; 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$NAME: 1-HEPTADECANOYLPYRROLIDINE
CH$NAME: N-PALMITOYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₁NO
CH$EXACT_MASS: 323.31881
CH$SMILES: CCCCCCCCCCCCCCCCC(=O)N(C1)CCC1
CH$IUPAC: InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h2-20H2,1H3
CH$LINK: INCHIKEY HGOPYGUCWZFCID-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80341645

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$SPLASH: splash10-03di-0900000000-3487e43c57e2b374325b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  98 9 90
  99 1.2 12
  112 1.7 17
  113 99.99 999
  126 24.7 247
  127 6.1 61
  140 1.2 12
  154 2.9 29
  168 0.6 6
  182 1.7 17
  196 0.7 7
  210 0.2 2
  224 0.2 2
  238 0.2 2
  252 0.2 2
  280 0.2 2
  294 0.5 5
  308 0.3 3
  323 0.5 5
  324 0.2 2
//