MassBank Record: JP002647



 5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002647
RECORD_TITLE: 5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER; 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$NAME: 5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6ClNO4 CH$EXACT_MASS: 214.99854 CH$SMILES: COC(=O)c(c1)c(ccc(Cl)1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-01si-6910000000-2ddc3b18a42c5dd3e0ea PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 44 2.5 25 50 12.4 124 51 6.2 62 57 0.84 8 62 5.8 58 63 17.2 172 65 2.9 29 73 0.32 3 74 20.5 205 75 38.4 384 76 38.4 384 77 0.87 9 84 3.2 32 85 2.9 29 98 2.9 29 99 0.25 3 110 21.2 212 111 14.6 146 112 12.8 128 113 0.51 5 126 16.4 164 127 2.9 29 128 3.2 32 129 0.25 3 138 2.5 25 153 2.9 29 154 3.2 32 155 0.4 4 157 2.9 29 184 99.99 999 185 13.9 139 186 3.58 36 187 2.9 29 215 21.9 219 217 8 80 //