MassBank Record: JP007402

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

ACCESSION: JP007402
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: QUINOLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H7N CH$EXACT_MASS: 129.05785 CH$SMILES: c(c2)cc(c1)c(c2)ncc1 CH$IUPAC: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H CH$LINK: CAS 91-22-5 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798
AC$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: splash10-004i-5900000000-f63ba1bba58ccc63c20a PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 17 1.58 16 18 6.72 67 26 0.69 7 27 0.99 10 28 2.18 22 32 0.59 6 37 1.09 11 38 1.98 20 39 3.36 34 49 0.99 10 50 8.6 86 50.5 0.69 7 51 14.04 140 51.5 0.89 9 52 3.07 31 61 1.19 12 62 2.08 21 63 4.15 42 64 2.18 22 64.5 5.24 52 65 0.99 10 73 0.69 7 74 4.45 45 75 7.12 71 76 8.6 86 77 3.16 32 78 1.98 20 79 0.79 8 87 0.79 8 89 0.69 7 98 0.79 8 99 0.79 8 100 0.99 10 101 5.73 57 102 19.78 198 103 6.53 65 127 1.58 16 128 15.13 151 129 99.99 999 130 10.28 103 //