MassBank Record: JP000191



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

ACCESSION: JP000191
RECORD_TITLE: ORTHO IODO ISOBUTYLBENZOATE; 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$NAME: ORTHO IODO ISOBUTYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13IO2 CH$EXACT_MASS: 303.99602 CH$SMILES: CC(C)COC(=O)c(c1)c(I)ccc1 CH$IUPAC: InChI=1S/C11H13IO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
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$SPLASH: splash10-0f9t-8090000000-ebe750b2a3fa8be8433a PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 27 7.62 76 29 21.78 218 39 8.97 90 41 26.16 262 43 5.26 53 50 23.6 236 51 4.18 42 55 4.05 41 56 18.54 185 57 8.97 90 65 4.05 41 73 1.55 16 74 4.59 46 75 7.01 70 76 54.62 546 77 8.97 90 78 1.35 14 93 3.64 36 104 10.79 108 105 4.18 42 121 4.72 47 203 22.86 229 204 1.48 15 231 93.93 939 232 7.35 74 248 99.99 999 249 11.67 117 250 0.81 8 304 6.95 70 305 0.81 8 //