ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000757
RECORD_TITLE: CYCLOPENTENE-1-CARBOXAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTENE-1-CARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NO
CH$EXACT_MASS: 111.06841
CH$SMILES: NC(=O)C(C1)=CCC1
CH$IUPAC: InChI=1S/C6H9NO/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H2,7,8)
CH$LINK: INCHIKEY DSLSPCZKJILYBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00280022

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03xr-9500000000-404bfa50623beeac9f69
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  18 4.5 45
  27 2.4 24
  28 8 80
  30 0.25 3
  32 2 20
  39 8.1 81
  40 6 60
  41 2.5 25
  42 2.1 21
  44 15.7 157
  53 4.1 41
  65 1.39 14
  66 15.6 156
  67 78.6 786
  68 13.4 134
  82 0.56 6
  83 1.9 19
  94 6.9 69
  95 44.4 444
  96 0.89 9
  110 19.2 192
  111 99.99 999
  112 8.6 86
//