MassBank Record: JP005693



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

ACCESSION: JP005693
RECORD_TITLE: ETHYL 4-NITROBENZOATE; 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$NAME: ETHYL 4-NITROBENZOATE CH$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$LINK: CAS 99-77-4 CH$LINK: INCHIKEY PHWSCBWNPZDYRI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1052666
AC$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: splash10-0udi-4900000000-81611d5a561c2c0926e0 PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 15 0.86 9 18 0.54 5 26 1.12 11 27 6.9 69 28 2.02 20 29 12.02 120 30 6 60 37 0.45 5 38 1.3 13 39 2.93 29 43 1.31 13 44 0.24 2 45 12.04 120 46 0.99 10 49 0.32 3 50 16.38 164 51 4.02 40 52 0.42 4 53 1.42 14 61 0.41 4 62 1.03 10 63 3.42 34 64 3.77 38 65 14.38 144 66 1 10 73 0.79 8 74 7.65 77 75 15.52 155 76 27.44 274 77 4.2 42 78 0.56 6 79 0.33 3 81 2.36 24 82 0.17 2 91 0.6 6 92 14.86 149 93 2.77 28 94 0.33 3 103 9.7 97 104 34.01 340 105 3.33 33 106 0.44 4 107 0.25 3 108 0.15 2 109 5.28 53 110 0.38 4 119 0.36 4 120 8.35 84 121 12.88 129 122 2.2 22 123 0.43 4 134 6.73 67 135 10.38 104 136 0.98 10 137 4.52 45 138 0.4 4 148 2.56 26 149 3.11 31 150 99.99 999 151 17.39 174 152 1.87 19 153 0.24 2 167 45.8 458 168 5.55 56 169 0.68 7 177 0.71 7 178 27.01 270 179 4.8 48 180 1.81 18 194 1.49 15 195 16.58 166 196 3.6 36 197 0.41 4 //

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