MassBank Record: JP000013



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

ACCESSION: JP000013
RECORD_TITLE: 3-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$NAME: 3-NITROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)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$SPLASH: splash10-00ku-9200000000-e23f03dc5d92ae7f8a32 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 51 4.74 47 52 2.7 27 53 19.37 194 54 3.29 33 55 13.99 140 56 5.27 53 57 15.31 153 60 6.26 63 61 5.51 55 62 9.49 95 63 18.14 181 64 20.78 208 65 71.11 711 66 7.93 79 67 5.2 52 68 5.62 56 69 16.73 167 70 5.53 55 71 7.75 78 73 6.34 63 74 3.44 34 75 2.28 23 80 5.55 56 81 33.32 333 82 5.51 55 83 7.86 79 84 3.55 36 85 4.32 43 92 16.6 166 93 55.9 559 94 6.21 62 95 4.67 47 96 3.27 33 97 6.61 66 98 3.99 40 99 3.97 40 109 6.74 67 110 2.04 20 111 3.14 31 123 2.83 28 129 2.3 23 138 10.06 101 139 99.99 999 140 7.86 79 //