MassBank Record: JP001139



 7-ACETOXY-6-METHYLCOUMARIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001139
RECORD_TITLE: 7-ACETOXY-6-METHYLCOUMARIN; 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$NAME: 7-ACETOXY-6-METHYLCOUMARIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H10O4 CH$EXACT_MASS: 218.05791 CH$SMILES: CC(=O)Oc(c1)c(C)cc(C=2)c(OC(=O)C2)1 CH$IUPAC: InChI=1S/C12H10O4/c1-7-5-9-3-4-12(14)16-11(9)6-10(7)15-8(2)13/h3-6H,1-2H3
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$SPLASH: splash10-004i-4900000000-5ca6ccc237b7bb9adcce PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 18 1 10 27 1.6 16 28 3.6 36 39 5.2 52 41 1.5 15 43 38.5 385 50 1 10 51 8.3 83 52 2.1 21 53 2.6 26 63 2.6 26 64 1 10 65 8.3 83 76 2.1 21 77 4.2 42 78 1 10 79 1 10 91 10.4 104 119 4.7 47 120 1.6 16 147 9.9 99 148 47.4 474 149 3.2 32 175 3.6 36 176 99.99 999 177 10.4 104 218 14.1 141 219 2.1 21 //