MassBank Record: JP001616



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

ACCESSION: JP001616
RECORD_TITLE: 1-NITRONAPHTHALENE; 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$NAME: 1-NITRONAPHTHALENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H7NO2 CH$EXACT_MASS: 173.04768 CH$SMILES: [O-1][N+1](=O)c(c1)c(c2)c(ccc2)cc1 CH$IUPAC: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H CH$LINK: CAS 86-57-7
AC$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: splash10-0fb9-9600000000-bdf73b19a48ec1965ff9 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 40 2.65 27 41 1.19 12 43 2.47 25 44 1.28 13 45 1 10 46 23.55 236 49 5.77 58 50 56.27 563 51 64.16 642 52 9.34 93 53 2.56 26 61 11.82 118 62 28.13 281 63 50.96 510 64 7.79 78 65 8.15 82 73 4.94 49 74 42.07 421 75 48.48 485 76 21.99 220 77 53.07 531 78 5.31 53 85 3.11 31 86 8.79 88 87 12.37 124 88 5.59 56 89 15.03 150 90 9.25 93 97 1.19 12 98 7.88 79 99 5.86 59 100 5.95 60 101 21.81 218 102 7.42 74 103 2.47 25 113 3.11 31 114 8.52 85 115 99.99 999 116 12.09 121 117 7.51 75 118 4.85 49 125 4.3 43 126 36.57 366 127 85.88 859 128 11.73 117 129 12.28 123 130 2.65 27 143 10.99 110 144 2.19 22 145 13.01 130 146 1.28 13 172 2.93 29 173 31.89 319 174 3.75 38 //