MassBank Record: JP001014



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

ACCESSION: JP001014
RECORD_TITLE: PARA-IODOBENZOIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-IODOBENZOIC ACID ETHYL ESTER CH$NAME: ETHYL PARA-IODOBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9IO2 CH$EXACT_MASS: 275.96472 CH$SMILES: CCOC(=O)c(c1)ccc(I)c1 CH$IUPAC: InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
AC$INSTRUMENT: HITACHI RMU-7M 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: splash10-0fai-5190000000-b7b7daf8876009dafbf8 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 27 6.09 61 28 1 10 29 10.34 103 38 1.72 17 39 1.72 17 45 4.02 40 50 27.52 275 51 4.02 40 65 7.41 74 73 1.72 17 74 10.63 106 75 11.38 114 76 45.29 453 77 5.46 55 103 3.45 35 104 10.57 106 105 2.3 23 121 2.93 29 127 1.95 20 128 1.61 16 149 5.63 56 203 22.07 221 204 1.67 17 231 99.99 999 232 11.49 115 248 38.79 388 249 2.82 28 276 40.4 404 277 3.97 40 //