MassBank Record: JP001159



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

ACCESSION: JP001159
RECORD_TITLE: 7-ACETOXYCOUMARIN; 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$NAME: 7-ACETOXYCOUMARIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H8O4 CH$EXACT_MASS: 204.04226 CH$SMILES: CC(=O)Oc(c1)cc(O2)c(C=CC(=O)2)c1 CH$IUPAC: InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3
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$SPLASH: splash10-03ec-7900000000-73b34f6a9af485acdefe PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 41 3 30 42 3 30 43 59 590 44 2 20 45 1 10 49 1 10 50 8 80 51 21 210 52 4 40 53 3 30 54 2 20 55 3 30 56 1 10 57 3 30 61 2 20 62 6 60 63 11 110 64 3 30 65 4 40 66 1 10 69 7 70 70 1 10 71 2 20 74 3 30 75 1 10 76 3 30 77 13 130 78 12 120 79 3 30 89 4 40 92 2 20 93 1 10 105 13 130 106 5 50 133 6 60 134 99.99 999 135 9 90 136 1 10 161 2 20 162 91 910 163 10 100 164 1 10 204 15 150 205 4 40 206 1 10 //