MassBank Record: JP001160



 4-ACETOXY-7-METHOXY-3-METHYLCOUMARIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001160
RECORD_TITLE: 4-ACETOXY-7-METHOXY-3-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$NAME: 4-ACETOXY-7-METHOXY-3-METHYLCOUMARIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H12O5 CH$EXACT_MASS: 248.06847 CH$SMILES: COc(c2)cc(O1)c(c2)C(OC(C)=O)=C(C)C(=O)1 CH$IUPAC: InChI=1S/C13H12O5/c1-7-12(17-8(2)14)10-5-4-9(16-3)6-11(10)18-13(7)15/h4-6H,1-3H3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfu-9850000000-87d1f32bafc76b197038 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 39 8 80 40 1 10 41 4 40 42 5 50 43 81 810 44 2 20 50 5 50 51 13 130 52 5 50 53 8 80 54 2 20 55 7 70 58 3 30 62 5 50 63 12 120 64 4 40 65 7 70 66 3 30 67 2 20 69 7 70 74 2 20 75 3 30 76 3 30 77 8 80 78 5 50 79 11 110 80 3 30 85 9 90 89 3 30 90 3 30 91 6 60 92 3 30 93 3 30 94 2 20 95 6 60 102 2 20 106 5 50 107 10 100 108 6 60 118 2 20 119 4 40 120 3 30 121 7 70 122 11 110 123 2 20 133 2 20 134 4 40 135 3 30 150 57 570 151 76 760 152 8 80 177 9 90 178 15 150 179 3 30 205 3 30 206 99.99 999 207 14 140 208 3 30 248 22 220 249 3 30 //