MassBank Record: JP000001



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

ACCESSION: JP000001
RECORD_TITLE: 1-NITROPYRENE; 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$NAME: 1-NITROPYRENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H9NO2 CH$EXACT_MASS: 247.06333 CH$SMILES: [O-1][N+1](=O)c(c4)c(c1)c(c3c4)c(c2cc3)c(ccc2)c1 CH$IUPAC: InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
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$SPLASH: splash10-0udj-7790000000-5839a7971f0d731a8df6 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 51 2.66 27 55 8 80 57 7.33 73 58 1.33 13 59 1.33 13 60 14 140 61 1.33 13 62 3.33 33 63 3.33 33 66 1.33 13 68 8.66 87 70 2 20 72 5.33 53 73 7.33 73 74 3.33 33 75 2.66 27 76 2 20 78 1.33 13 80 4 40 81 2 20 82 1.33 13 83 3.33 33 86 12.66 127 87 8.66 87 92 2 20 93 10 100 94 6 60 98 14.66 147 99 83.33 833 100 60.66 607 104 4 40 107 1.33 13 108 1.33 13 110 3.33 33 112 1.33 13 113 1.33 13 115 1.33 13 116 1.33 13 120 1.33 13 122 4 40 123 2.66 27 124 2.66 27 125 2 20 126 1.33 13 134 1.33 13 135 2 20 137 1.33 13 147 1.33 13 149 2 20 150 4.66 47 151 3.33 33 159 2 20 162 2 20 163 2.66 27 173 2 20 174 8.66 87 175 4.66 47 177 2 20 187 5.33 53 188 4.66 47 189 56.66 567 190 12 120 191 16.66 167 198 10.66 107 199 9.33 93 200 72.66 727 201 99.99 999 202 16 160 203 1.33 13 207 1.33 13 214 1.33 13 217 25.33 253 218 5.33 53 247 52.66 527 248 10.16 102 //