MassBank Record: JP001134



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

ACCESSION: JP001134
RECORD_TITLE: 7-METHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 7-METHOXYCOUMARIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H8O3 CH$EXACT_MASS: 176.04734 CH$SMILES: COc(c1)cc(O2)c(C=CC(=O)2)c1 CH$IUPAC: InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
AC$INSTRUMENT: HITACHI RMU-7L AC$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$SPLASH: splash10-005a-5900000000-a51cb4413d70fe3ecdcc PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 18 7 70 26 1.7 17 27 7.8 78 29 1.6 16 31 1 10 32 1 10 37 1.2 12 38 8.7 87 39 10.3 103 41 1.7 17 42 1 10 50 11.6 116 51 36.4 364 52 1.7 17 53 2.9 29 59 1.7 17 61 3.7 37 62 12 120 63 22.7 227 64 3.3 33 65 1.2 12 74 2.5 25 75 2.1 21 76 8.3 83 77 25.6 256 78 1.7 17 79 2.9 29 86 1.7 17 87 2.1 21 88 2.5 25 89 10.7 107 90 3.3 33 91 5.4 54 105 11.2 112 118 1.7 17 119 2.5 25 120 3.3 33 133 97.1 971 134 7.4 74 145 1.2 12 147 1.7 17 148 93.4 934 149 9.9 99 176 99.99 999 177 9.5 95 //