MassBank Record: JP003227



 3,1-BENZOXAZEPINE-2-CARBONITRILE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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. 170 37 370 143 10 100 142 99.99 999 116 8 80 115 69 690 114 12 120 90 35 350 89 68 680 88 15 150 64 27 270 63 63 630 62 30 300 //