MassBank Record: JP006874

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

ACCESSION: JP006874
RECORD_TITLE: NONANE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: NONANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H20 CH$EXACT_MASS: 128.15650 CH$SMILES: CCCCCCCCC CH$IUPAC: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 CH$LINK: INCHIKEY BKIMMITUMNQMOS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025796
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$SPLASH: splash10-052f-9000000000-bbdcc7cfbce99dcd0a5f PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 1.14 11 26 1.47 15 27 22.61 226 28 3.38 34 29 35.91 359 39 14.23 142 40 1.2 12 41 43.04 430 42 17 170 43 99.99 999 44 2.4 24 53 1.79 18 54 1.66 17 55 13.79 138 56 14.63 146 57 66.61 666 58 2.25 23 70 9.38 94 71 18.01 180 72 1.07 11 84 5.31 53 85 19.81 198 86 1.01 10 98 1.93 19 99 3.5 35 128 3.9 39 //