MassBank Record: JP000225



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

ACCESSION: JP000225
RECORD_TITLE: PARA-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-NITROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: Oc(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-00or-9500000000-a23a22fc322241325904 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 26 5.3 53 27 10.5 105 28 1.6 16 29 0.33 3 30 11.7 117 37 6.7 67 38 16.8 168 39 8.1 81 40 3.1 31 42 1.5 15 43 1.5 15 49 0.16 2 50 9.3 93 51 8 80 52 5.2 52 53 1.36 14 54 2.1 21 55 3.5 35 61 6.4 64 62 1.21 12 63 24.6 246 64 10.9 109 65 99.99 999 66 0.62 6 67 1.2 12 73 1.3 13 74 4.8 48 75 0.33 3 81 27.6 276 82 1.7 17 92 2.3 23 93 2.31 23 94 1.7 17 109 48.4 484 110 3.5 35 113 0.48 5 129 98.2 982 130 9.2 92 131 1.1 11 //