MassBank Record: JP006535

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ETHYL 4-METHYLPENTANOATE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP006535
RECORD_TITLE: ETHYL 4-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-METHYLPENTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCOC(=O)CCC(C)C CH$IUPAC: InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3 CH$LINK: INCHIKEY OFQRUTMGVBMTFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6067094
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$SPLASH: splash10-0f9g-9100000000-4bbceed47a2856975b25 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 15 2.88 29 26 4.39 44 27 29.75 298 29 51.13 511 30 2.98 30 31 4.13 41 38 1.15 12 39 15.64 156 41 34.16 342 42 9.57 96 43 75.57 756 44 1.55 16 45 16.85 169 50 1.03 10 51 1.7 17 53 4.23 42 54 2.42 24 55 32.9 329 56 11.92 119 57 16.65 167 58 1.71 17 59 7.2 72 60 25.64 256 61 17.15 172 67 1.06 11 69 7.45 75 70 16.46 165 71 16.17 162 73 29.85 299 74 18.13 181 75 5.67 57 81 23.65 237 82 2.84 28 83 11.66 117 84 1.21 12 87 3.66 37 88 99.99 999 89 5.69 57 97 2.85 29 98 1.54 15 99 56.73 567 100 4.07 41 101 72.06 721 102 6.13 61 115 9.6 96 116 1.6 16 117 3.86 39 129 2.76 28 //