MassBank Record: JP001530



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

ACCESSION: JP001530
RECORD_TITLE: 2-ETHYLHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-ETHYLHEXYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCCCC(CC)COC(C)=O CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0596-9000000000-6e51d4eab674ef388f31 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 6.07 61 27 11.22 112 28 2.02 20 29 16.38 164 31 1.61 16 39 7.73 77 40 1.24 12 41 32.66 327 42 10.3 103 43 99.99 999 44 2.76 28 53 2.44 24 54 2.44 24 55 37.44 374 56 27.78 278 57 52.26 523 58 2.35 24 61 9.2 92 67 1.84 18 68 2.16 22 69 14.86 149 70 93.52 935 71 12.1 121 72 1.79 18 73 10.12 101 74 17.3 173 75 2.16 22 82 4.14 41 83 25.07 251 84 14.26 143 85 1.38 14 86 6.21 62 97 2.35 24 98 2.44 24 99 1.38 14 111 2.99 30 112 28.98 290 113 2.99 30 //