MassBank Record: JP000062



 ISOPROPYL ORTHO TOLUATE (2-D1); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000062
RECORD_TITLE: ISOPROPYL ORTHO TOLUATE (2-D1); 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$NAME: ISOPROPYL ORTHO TOLUATE (2-D1) CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: [2H]C(C)(C)OC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i8D
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$SPLASH: splash10-014i-7900000000-09f99c64240a8f6cfe54 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 4.01 40 29 1.67 17 39 11.75 118 40 2.34 23 41 8.81 88 42 9.01 90 43 6.14 61 44 17.16 172 51 3.67 37 55 3.07 31 57 4.14 41 60 2.2 22 63 5.87 59 65 24.83 248 77 4.01 40 79 2.27 23 89 7.74 77 90 26.03 260 91 57.61 576 92 6.68 67 118 99.99 999 119 77.44 774 120 7.34 73 135 3.2 32 136 57.34 573 137 7.34 73 179 9.48 95 180 1.27 13 //