MassBank Record: KO001517



 p-Nitroaniline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001517
RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052k-6900000000-22deb8b5159ea296249c PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 37.300 44554.5 2 45.200 94059.5 4 46.100 26628739.5 999 59.100 148515.0 6 64.800 49505.0 2 91.200 410891.5 15 91.500 64356.5 2 93.000 1044555.5 39 106.400 133663.5 5 107.100 21707942.5 814 118.800 54455.5 2 137.200 17930711.0 673 //