MassBank Record: JP009630



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

ACCESSION: JP009630
RECORD_TITLE: ETHYL 4-NITROBENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-NITROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO4 CH$EXACT_MASS: 195.05316 CH$SMILES: CCOC(=O)c(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3 CH$LINK: INCHIKEY PHWSCBWNPZDYRI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1052666
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$SPLASH: splash10-0ufr-9800000000-3d91bb8dc564f24d5fd6 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 26 4.3 43 27 24.2 242 29 34.5 345 30 1.95 20 38 3 30 39 7.2 72 43 3.9 39 44 0.12 1 45 26 260 46 3.5 35 50 35.3 353 51 0.89 9 52 1 10 53 3.4 34 62 1.8 18 63 0.67 7 64 7.1 71 65 26.7 267 66 1.9 19 74 1.27 13 75 27 270 76 48.4 484 77 7.6 76 81 0.36 4 91 1 10 92 22.5 225 93 4 40 103 1.24 12 104 42 420 105 4.2 42 109 7 70 120 1.2 12 121 15.8 158 122 2.8 28 134 7.6 76 135 1.18 12 136 1 10 137 6 60 148 2.7 27 149 0.38 4 150 99.99 999 151 17.4 174 152 1.8 18 167 3.71 37 168 4.8 48 178 22.9 229 179 4.3 43 194 0.12 1 195 30.5 305 196 4.5 45 //

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