MassBank Record: JP006544



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

ACCESSION: JP006544
RECORD_TITLE: ETHYL 2-ETHYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-ETHYLHEXANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCCCC(CC)C(=O)OCC CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3 CH$LINK: INCHIKEY YXAGIRHBJJLWHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863070
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-0pxu-9400000000-8407f9bbddac2d7ace48 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 15 1.26 13 26 1.55 16 27 33.13 331 29 63.75 638 30 1.37 14 31 1.92 19 39 15.54 155 41 52.46 525 42 11.35 114 43 37.13 371 45 8.23 82 53 3.97 40 54 1.62 16 55 29.92 299 56 10.32 103 57 99.99 999 58 4.01 40 59 1.99 20 67 1.37 14 68 1.01 10 69 8.28 83 70 8.77 88 71 3.89 39 73 37.65 377 74 1.61 16 83 2.13 21 87 9.32 93 88 18.9 189 89 2.37 24 97 1.62 16 98 2.1 21 99 11.13 111 101 73.49 735 102 4.96 50 115 18.6 186 116 96.88 969 117 6.51 65 127 15.79 158 128 1.26 13 129 11.01 110 143 5.83 58 144 13.61 136 145 1.54 15 //

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