MassBank Record: JP002648



 4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002648
RECORD_TITLE: 4-CHLORO-3-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$NAME: 4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H6ClNO4 CH$EXACT_MASS: 214.99854 CH$SMILES: COC(=O)c(c1)cc([N+1]([O-1])=O)c(Cl)c1 CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)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$SPLASH: splash10-001r-1910000000-178cf9d622bc5046e1a5 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 44 4.6 46 50 4.6 46 51 5.2 52 62 0.23 2 63 12.1 121 73 2.8 28 74 9.2 92 75 3.69 37 77 5.7 57 84 2.3 23 109 2.8 28 110 2.25 23 111 2.8 28 112 4 40 126 7.5 75 137 0.23 2 138 39.3 393 139 2.3 23 140 11.5 115 153 0.63 6 154 19.6 196 155 2.8 28 156 2.8 28 169 0.23 2 184 99.99 999 185 21.9 219 186 35.2 352 187 0.28 3 215 35.8 358 217 9.2 92 //