MassBank Record: JP000061



 ISOPROPYL ORTHO TOLUATE (ALPHA,ALPHA,ALPHA-D3); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000061
RECORD_TITLE: ISOPROPYL ORTHO TOLUATE (ALPHA,ALPHA,ALPHA-D3); 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$NAME: ISOPROPYL ORTHO TOLUATE (ALPHA,ALPHA,ALPHA-D3) CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: [2H]C([2H])([2H])C(C)OC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3
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$SPLASH: splash10-00dl-5900000000-f0e61d89ee1db41e3259 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 7.12 71 39 5.63 56 40 4.89 49 41 16.28 163 42 2.21 22 43 23.82 238 44 1.08 11 59 4.49 45 64 1.32 13 65 1.5 15 66 4.91 49 67 15.08 151 68 7.66 77 91 10.89 109 92 17.41 174 93 12.45 125 94 63.14 631 95 5.98 60 119 44.34 443 120 75.58 756 121 13.82 138 122 99.99 999 123 8.92 89 138 6.28 63 139 76.72 767 140 5.69 57 181 13.7 137 182 0.72 7 //