MassBank Record: JP002911



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

ACCESSION: JP002911
RECORD_TITLE: O-ACETOXY NITROBENZENE; 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$NAME: O-ACETOXY NITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7NO4 CH$EXACT_MASS: 181.03751 CH$SMILES: CC(=O)Oc(c1)c(ccc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3 CH$LINK: INCHIKEY MRCKRGSNLOHYRA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7060590
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: splash10-0006-9200000000-50d8071a1816eb862d72 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 15 6.8 68 30 3.6 36 38 3.33 33 39 3.97 40 42 2.33 23 43 99.99 999 44 3.01 30 50 2.01 20 51 2.17 22 63 6.84 68 64 4.74 47 65 4.74 47 81 2.95 30 93 2.13 21 109 2.51 25 139 37.27 373 140 2.7 27 181 3.04 30 //

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