MassBank Record: JP002907



 3,4,5-TRIMETHOXY BENZALDEHYDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002907
RECORD_TITLE: 3,4,5-TRIMETHOXY BENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3,4,5-TRIMETHOXY BENZALDEHYDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O4 CH$EXACT_MASS: 196.07356 CH$SMILES: O=Cc(c1)cc(OC)c(OC)c(OC)1 CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000t-4900000000-1127a70e630db20e6749 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 15 10.7 107 27 2.44 24 29 5.64 56 38 6.19 62 39 22.64 226 41 2.9 29 43 2.42 24 50 7.12 71 51 10.36 104 52 2.61 26 53 8.55 86 62 2.65 27 63 3.92 39 65 11.62 116 66 7.94 79 67 7.74 77 75 2.44 24 77 10.16 102 78 3.1 31 79 7.42 74 81 3.98 40 82 5.35 54 92 2.17 22 93 21.05 211 94 3.05 31 95 15.78 158 96 2.38 24 97 3.08 31 105 2.17 22 107 3.37 34 108 2.29 23 109 3.13 31 110 22.49 225 119 2.27 23 121 4.4 44 122 2.24 22 123 5.7 57 125 31.23 312 126 3.05 31 129 2.89 29 135 6.64 66 136 7.37 74 137 3.65 37 138 6.71 67 152 2.96 30 153 9.36 94 165 2.48 25 166 3.52 35 167 5.15 52 179 2.96 30 180 2.43 24 181 77.66 777 182 8.37 84 195 10.39 104 196 99.99 999 197 17.37 174 198 2.2 22 //