MassBank Record: JP006274

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

ACCESSION: JP006274
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI M-80 AC$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$SPLASH: splash10-004r-9400000000-a7bd7793194cf28d1efc PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 26 1.76 18 27 11.01 110 28 2.2 22 29 99.99 999 30 18.26 183 31 0.7 7 38 1.6 16 39 6.5 65 40 1.15 12 41 0.83 8 43 3.92 39 44 0.5 5 45 1.42 14 46 0.85 9 50 2.56 26 51 4.7 47 52 2.67 27 62 3.06 31 63 10.81 108 64 4.38 44 65 1.36 14 73 1.27 13 74 0.66 7 75 0.72 7 76 0.56 6 77 4.72 47 78 20.97 210 79 3.68 37 89 23.94 239 90 24.15 242 91 7.33 73 92 0.66 7 106 8.48 85 107 20.36 204 108 1.59 16 119 5.33 53 120 9.05 91 121 2.32 23 135 1.78 18 136 27.19 272 137 44.44 444 138 3.59 36 163 0.86 9 164 4.8 48 165 1.88 19 181 2.04 20 182 0.62 6 193 1.71 17 209 20.13 201 210 7.19 72 211 0.82 8 //