MassBank Record: JP000750



 2-HYDROXY-5,7-DIMETHOXY-1,4-NAPHTHOQUINONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000750
RECORD_TITLE: 2-HYDROXY-5,7-DIMETHOXY-1,4-NAPHTHOQUINONE; 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$NAME: 2-HYDROXY-5,7-DIMETHOXY-1,4-NAPHTHOQUINONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H10O5 CH$EXACT_MASS: 234.05282 CH$SMILES: COc(c1)cc(c(=O)2)c(c(=O)cc(O)2)c(OC)1 CH$IUPAC: InChI=1S/C12H10O5/c1-16-6-3-7-11(10(4-6)17-2)8(13)5-9(14)12(7)15/h3-5,14H,1-2H3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-8940000000-95ede05813ff16a24c61 PK$NUM_PEAK: 144 PK$PEAK: m/z int. rel.int. 39 15 150 40 5 50 41 12 120 42 0.8 8 43 23 230 44 5 50 45 6 60 46 0.2 2 50 10 100 51 18 180 52 7 70 53 0.9 9 54 5 50 55 20 200 56 4 40 57 0.9 9 58 2 20 59 10 100 60 4 40 61 0.5 5 62 9 90 63 15 150 64 6 60 65 1.3 13 66 4 40 67 2 20 68 4 40 69 0.3 3 70 14 140 71 5 50 72 6 60 73 0.6 6 74 5 50 75 7 70 76 8 80 77 2.3 23 78 8 80 79 6 60 80 8 80 81 0.3 3 82 3 30 83 6 60 84 3 30 85 0.6 6 86 3 30 87 4 40 88 4 40 89 1 10 90 7 70 91 12 120 92 10 100 93 0.6 6 94 4 40 95 4 40 96 3 30 97 0.4 4 98 3 30 99 4 40 100 5 50 101 0.5 5 102 6 60 103 12 120 104 5 50 105 1 10 106 6 60 107 8 80 108 3 30 109 0.3 3 110 2 20 111 2 20 112 2 20 113 0.1 1 114 1 10 115 5 50 116 3 30 117 0.6 6 118 6 60 119 8 80 120 6 60 121 0.6 6 122 3 30 123 2 20 124 2 20 125 0.2 2 126 2 20 127 3 30 128 3 30 129 0.3 3 130 4 40 131 10 100 132 9 90 133 0.8 8 134 9 90 135 14 140 136 5 50 137 0.4 4 138 4 40 139 2 20 140 2 20 141 0.2 2 142 2 20 143 3 30 144 4 40 145 0.5 5 146 7 70 147 9 90 148 10 100 149 0.9 9 150 5 50 151 4 40 152 2 20 153 0.1 1 158 3 30 159 6 60 160 10 100 161 9.4 94 162 16 160 163 9 90 164 11 110 173 0.5 5 174 13 130 175 27 270 176 13 130 177 0.6 6 178 3 30 187 4 40 188 6 60 189 0.5 5 190 6 60 191 6 60 192 3 30 202 2.1 21 203 14 140 204 5 50 205 16 160 206 0.7 7 216 3 30 217 3 30 218 3 30 219 0.2 2 233 11 110 234 99.99 999 235 16 160 236 3 30 //