MassBank Record: JP000212



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

ACCESSION: JP000212
RECORD_TITLE: ORTHO NITRO ANILINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO NITRO ANILINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6N2O2 CH$EXACT_MASS: 138.04293 CH$SMILES: [O-1][N+1](=O)c(c1)c(N)ccc1 CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2 CH$LINK: INCHIKEY DPJCXCZTLWNFOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025726
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$SPLASH: splash10-00ku-9200000000-bcec312c5e8005213644 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 26 1.42 14 27 4.1 41 28 6.87 69 30 2.99 30 37 3.73 37 38 9.18 92 39 31.04 310 40 2.84 28 41 6.04 60 42 2.76 28 50 4.33 43 51 7.84 78 52 17.84 178 53 7.16 72 54 1.49 15 61 2.24 22 62 5.07 51 63 15.67 157 64 13.43 134 65 99.99 999 66 11.87 119 74 1.42 14 75 1.49 15 76 1.64 16 77 2.99 30 78 2.39 24 79 1.49 15 80 15.82 158 90 3.58 36 91 9.55 96 92 65.9 659 93 4.48 45 108 12.69 127 121 5.22 52 122 2.09 21 138 81.34 813 139 5.97 60 //

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