MassBank Record: JP000216



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

ACCESSION: JP000216
RECORD_TITLE: META NITRO PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META NITRO PHENOL CH$NAME: META HYDROXY NITROBENZENE 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: HITACHI RMU-7M 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: splash10-00kr-9300000000-7e5dce0e1f5aeb2df0d2 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 26 1.27 13 27 4.65 47 28 2.1 21 29 1.57 16 30 7.2 72 37 3.07 31 38 8.4 84 39 56.97 570 40 2.4 24 43 2.17 22 50 4.65 47 51 3.75 38 52 1.65 17 53 13.04 130 55 2.55 26 61 2.25 23 62 5.02 50 63 14.69 147 64 8.02 80 65 89.58 896 66 7.05 71 74 2.25 23 75 2.25 23 81 18.67 187 92 4.05 41 93 62.59 626 94 6.75 68 109 4.87 49 120 3 30 138 2.02 20 139 99.99 999 140 7.27 73 //