MassBank Record: KO001518



 p-Nitroaniline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001518
RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9000000000-1435b9be657c58613f26 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 46.200 33232706.5 999 50.100 24752.5 1 58.900 29703.0 1 65.200 79208.0 2 66.000 49505.0 1 75.000 24752.5 1 76.900 14851.5 1 91.100 287129.0 9 93.200 371287.5 11 107.100 1247526.0 38 137.300 311881.5 9 //