MassBank Record: JP011478



 ETHYL 4-NITROPHENYLACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP011478
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: FUJISE YHAMAMATSU UNIV. SCHOOL OF MEDICINE, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-NITROPHENYLACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO4 CH$EXACT_MASS: 209.06881 CH$SMILES: CCOC(=O)Cc(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3 CH$LINK: INCHIKEY DWDRNKYLWMKWTH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7063891
AC$INSTRUMENT: JEOL JMS-DX-300 AC$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$SPLASH: splash10-052r-9710000000-8eea6f911a6d3d813827 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 38 3.06 31 39 16.27 163 40 3.1 31 41 1.51 15 42 1.17 12 43 5.35 54 44 1.4 14 45 5.71 57 46 3.6 36 50 5.26 53 51 13.32 133 52 8.25 83 53 2.1 21 62 6.59 66 63 32.61 326 64 14.72 147 65 4.42 44 73 2.18 22 75 1.85 19 76 1.73 17 77 17.96 180 78 62.73 627 79 12.24 122 87 1.36 14 88 1.49 15 89 82.58 826 90 77.88 779 91 19.16 192 92 1.76 18 105 1.85 19 106 28.35 284 107 53.91 539 108 3.66 37 117 2.44 24 118 1.23 12 119 12.72 127 120 22.99 230 121 5.61 56 133 2.11 21 135 5.94 59 136 71.38 714 137 99.99 999 138 8.37 84 148 1.85 19 150 1.5 15 163 3.34 33 164 15.47 155 165 5.09 51 179 1.86 19 181 5.94 59 193 2.16 22 209 63.79 638 210 8.93 89 211 1.07 11 //

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