ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008127
RECORD_TITLE: 3-BENZYLAMINO-2-CYANOMETHYL-2-BUTEN-4-OLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-BENZYLAMINO-2-CYANOMETHYL-2-BUTEN-4-OLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12N2O2
CH$EXACT_MASS: 228.08988
CH$SMILES: N#CCC(C(=O)1)=C(NCc(c2)cccc2)CO1
CH$IUPAC: InChI=1S/C13H12N2O2/c14-7-6-11-12(9-17-13(11)16)15-8-10-4-2-1-3-5-10/h1-5,15H,6,8-9H2
CH$LINK: INCHIKEY BZIOKUMHDIBMJI-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-0006-9020000000-5fffe7cf95526e5910e6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  39 3.02 30
  41 1.7 17
  43 0.66 7
  50 0.79 8
  51 2.39 24
  52 1.97 20
  55 0.66 7
  57 0.98 10
  63 1.71 17
  64 0.76 8
  65 8.68 87
  66 1.06 11
  69 1.11 11
  71 0.62 6
  77 1.57 16
  78 1.04 10
  80 1.17 12
  81 0.57 6
  89 2.16 22
  90 1.21 12
  91 99.99 999
  92 9.6 96
  93 0.51 5
  104 1.36 14
  105 0.73 7
  115 0.69 7
  116 0.64 6
  149 1.12 11
  156 0.67 7
  183 0.54 5
  200 1.12 11
  201 0.68 7
  227 1.08 11
  228 35.29 353
  229 5.98 60
  230 0.62 6
//
