MassBank Record: JP000197

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

ACCESSION: JP000197
RECORD_TITLE: ORTHO METHYL ACETOPHENONE; 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$NAME: ORTHO METHYL ACETOPHENONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O CH$EXACT_MASS: 134.07316 CH$SMILES: CC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3 CH$LINK: INCHIKEY YXWWHNCQZBVZPV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60862222
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-014o-9600000000-8e7473021b55eeb933c5 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 27 1.87 19 38 1.35 14 39 11.58 116 41 3.02 30 43 15.32 153 45.5 1.87 19 50 3.15 32 51 6.44 64 52 1.22 12 62 2.7 27 63 7.66 77 64 1.8 18 65 23.1 231 66 2.25 23 77 3.41 34 89 6.18 62 90 2.57 26 91 99.99 999 92 7.92 79 103 1 10 105 1 10 115 1.42 14 119 92.21 922 120 8.3 83 134 29.47 295 135 3.02 30 //