MassBank Record: KO001515



 p-Nitroaniline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001515
RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID N012

CH$NAME: p-Nitroaniline CH$NAME: 4-Nitrobenzeneamine CH$NAME: 4-Nitroaniline CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6N2O2 CH$EXACT_MASS: 138.04293 CH$SMILES: Nc(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2 CH$LINK: CAS 100-01-6 CH$LINK: CHEBI 17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B CH$LINK: PUBCHEM SID:5205
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-4299e1274736f1f6e86f PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 45.400 118812.0 1 58.900 282178.5 1 61.300 34653.5 1 74.600 59406.0 1 93.200 222772.5 1 107.100 2752478.0 4 119.000 24752.5 1 135.700 103960.5 1 137.100 784377022.0 999 //