MassBank Record: JP002912



 M-ACETOXY NITROBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002912
RECORD_TITLE: M-ACETOXY NITROBENZENE; 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$NAME: M-ACETOXY NITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7NO4 CH$EXACT_MASS: 181.03751 CH$SMILES: CC(=O)Oc(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-8852693278d5c3cd134d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 15 4.92 49 30 2.22 22 38 2.3 23 39 3.8 38 43 99.99 999 44 3.58 36 63 4.61 46 64 2.63 26 65 4.75 48 93 7.71 77 139 6.84 68 181 5.32 53 //