MassBank Record: JP000011



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

ACCESSION: JP000011
RECORD_TITLE: O-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: O-NITROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01p9-9400000000-b0dcd6f6804e94a669df PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 51 15.85 159 52 8.42 84 53 28.05 281 54 2.29 23 55 2.27 23 60 1.06 11 61 5.75 58 62 17.29 173 63 45.11 451 64 41.62 416 65 51.77 518 66 6.47 65 67 1.78 18 73 1.15 12 74 2.73 27 75 2.38 24 76 1.44 14 77 2.77 28 78 5.63 56 79 1.16 12 80 8.72 87 81 30.38 304 82 1.93 19 91 2.46 25 92 11.94 119 93 13.15 132 94 6.55 66 106 4.18 42 108 3.71 37 109 30.58 306 110 2.04 20 122 7.2 72 123 1.85 19 138 13.61 136 139 99.99 999 140 7.57 76 //