MassBank Record: JP002913



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

ACCESSION: JP002913
RECORD_TITLE: P-ACETOXY NITROBENZEN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: P-ACETOXY NITROBENZEN CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7NO4 CH$EXACT_MASS: 181.03751 CH$SMILES: CC(=O)Oc(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 CH$LINK: INCHIKEY QAUUDNIGJSLPSX-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0006-9100000000-37bcbed03e2c36fc88ac PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 15 6.55 66 28 8.56 86 29 2.14 21 30 2.03 20 38 2.8 28 39 5.23 52 42 2.83 28 43 99.99 999 44 3.99 40 63 4.93 49 64 2.47 25 65 6.05 61 81 2.17 22 93 4.44 44 109 6.15 62 123 3.46 35 139 8.58 86 181 5.38 54 //