ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003227
RECORD_TITLE: 3,1-BENZOXAZEPINE-2-CARBONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3,1-BENZOXAZEPINE-2-CARBONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H6N2O
CH$EXACT_MASS: 170.04801
CH$SMILES: N#CC(O1)=Nc(c2)c(ccc2)C=C1
CH$IUPAC: InChI=1S/C10H6N2O/c11-7-10-12-9-4-2-1-3-8(9)5-6-13-10/h1-6H
CH$LINK: INCHIKEY UCCKBAPZOKCNRY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90343231
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-029f-9800000000-3e0f5d6ef49a33139317
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  62 30 300
  63 63 630
  64 27 270
  88 15 150
  89 68 680
  90 35 350
  114 12 120
  115 69 690
  116 8 80
  142 99.99 999
  143 10 100
  170 37 370
//
