MassBank Record: JP002617



 XANTHENE-9-CARBOXYLIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002617
RECORD_TITLE: XANTHENE-9-CARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: XANTHENE-9-CARBOXYLIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12O3 CH$EXACT_MASS: 240.07864 CH$SMILES: COC(=O)C(c21)c(c3)c(ccc3)Oc(cccc2)1 CH$IUPAC: InChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-00kb-4900000000-e7420c3935556dc0680d PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 50 10.2 102 51 2.4 24 53 4.1 41 61 0.34 3 62 6.3 63 63 17.7 177 64 14.3 143 65 0.24 2 67 2.6 26 69 6.5 65 70 12.1 121 75 0.75 8 76 4.3 43 84 20.1 201 85 2.9 29 87 0.38 4 88 3.8 38 89 6.3 63 92 11.6 116 93 0.29 3 98 4.1 41 105 2.4 24 113 6.5 65 114 0.72 7 119 3.1 31 129 3.8 38 138 2.4 24 139 7.08 71 140 16.5 165 167 4.8 48 168 98.7 987 169 1.45 15 195 8 80 196 99.99 999 197 27 270 198 2.6 26 //