MassBank Record: JP002877



 2-HYDROXY-3-METHOXY MANDELIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002877
RECORD_TITLE: 2-HYDROXY-3-METHOXY MANDELIC ACID; 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$NAME: 2-HYDROXY-3-METHOXY MANDELIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O5 CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)c(cc1)C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-6-4-2-3-5(7(6)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
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: splash10-0udl-6900000000-4f11e1cc3bd991b7f37b PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 27 12.48 125 29 10.9 109 31 3.54 35 38 3.57 36 39 27.81 278 41 3.24 32 43 2.83 28 44 8.05 81 45 6.98 70 50 7.44 74 51 15.22 152 52 10.94 109 53 18.56 186 55 10.82 108 62 2.22 22 63 13.31 133 64 9.45 95 65 53.52 535 66 6.71 67 69 3.35 34 75 2.02 20 76 8.84 88 77 13.6 136 78 16.79 168 79 6.9 69 80 4.47 45 81 19.23 192 92 14.2 142 93 99.99 999 94 9.82 98 104 3.72 37 105 8.07 81 106 36.95 370 107 15.01 150 108 8.87 89 109 15.42 154 110 21.03 210 119 4.02 40 120 11.16 112 121 6.65 67 122 11.99 120 123 4.37 44 124 2.6 26 125 27.69 277 134 7.53 75 135 12.99 130 136 20.79 208 137 26.51 265 138 16.97 170 139 2.42 24 151 12.19 122 152 34.71 347 153 98.79 988 154 9.1 91 162 39.72 397 163 5.1 51 164 6.94 69 180 32.73 327 181 3.28 33 182 6.62 66 198 59.08 591 199 6.08 61 //