MassBank Record: JP002062



 1-ACETOXY-4-METHYLBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002062
RECORD_TITLE: 1-ACETOXY-4-METHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-ACETOXY-4-METHYLBENZENE CH$NAME: PARACRESYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: CC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-5900000000-7e9142ca5636b3537762 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 14 0.8 8 15 2 20 18 1.8 18 27 0.32 3 28 2.4 24 29 0.6 6 39 3.8 38 40 0.12 1 41 1 10 42 2 20 43 19.8 198 50 0.08 1 51 4.9 49 52 3.4 34 53 4.7 47 54 0.06 1 55 1.2 12 62 0.6 6 63 1.4 14 64 0.06 1 65 3 30 75 1 10 77 14 140 78 0.49 5 79 10.1 101 80 5.1 51 81 0.8 8 89 0.12 1 90 4.2 42 91 5.7 57 92 1.6 16 106 0.26 3 107 40.3 403 108 99.99 999 109 10.1 101 110 0.08 1 150 9.3 93 151 1.4 14 //