MassBank Record: JP002646



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

ACCESSION: JP002646
RECORD_TITLE: 2-CHLORO-5-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$NAME: 2-CHLORO-5-NITROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6ClNO4 CH$EXACT_MASS: 214.99854 CH$SMILES: COC(=O)c(c1)c(Cl)ccc([N+1]([O-1])=O)1 CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/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$SPLASH: splash10-001i-2910000000-49e92828797ffcb471e4 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 44 3.6 36 50 3 30 51 2.4 24 63 0.9 9 73 2.4 24 74 19.3 193 75 34.5 345 77 0.42 4 84 2.4 24 109 4.8 48 110 18.7 187 111 0.18 2 112 4.8 48 126 9 90 137 2.4 24 138 2.96 30 139 2.4 24 140 9 90 153 4.8 48 154 1.15 12 156 1.8 18 169 1.8 18 184 99.99 999 185 1.63 16 186 37.5 375 187 4.8 48 215 26.6 266 217 1.2 12 //