MassBank Record: JP011637



 (-)-RIBOFLAVIN; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP011637
RECORD_TITLE: (-)-RIBOFLAVIN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (-)-RIBOFLAVIN CH$NAME: VITAMIN B2 CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H20N4O6 CH$EXACT_MASS: 376.13828 CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)CN(c21)C(=N3)C(C(=O)NC(=O)3)=Nc(cc(C)c(C)c2)1 CH$IUPAC: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 CH$LINK: CAS 83-88-5 CH$LINK: NIKKAJI J3.876H CH$LINK: INCHIKEY AUNGANRZJHBGPY-SCRDCRAPSA-N
AC$INSTRUMENT: HITACHI M-2500 AC$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$SPLASH: splash10-006x-4980000000-dd278a577316361d270a PK$NUM_PEAK: 138 PK$PEAK: m/z int. rel.int. 15 1.42 14 17 1.77 18 18 8.72 87 27 3.39 34 28 3.11 31 29 3.24 32 31 2.42 24 39 5.23 52 40 1.16 12 41 2.59 26 42 2.5 25 43 6.64 66 44 14.65 147 45 2.76 28 50 1.73 17 51 3.97 40 52 2.43 24 53 2.32 23 54 1.09 11 55 1.8 18 56 2.29 23 57 2.32 23 58 1.09 11 60 1.39 14 61 1.69 17 63 2.58 26 64 1.8 18 65 3.15 32 66 1.31 13 68 1.15 12 69 1.91 19 70 2.05 21 73 1.6 16 74 2.43 24 75 2.07 21 76 2.5 25 77 6.32 63 78 2.7 27 79 1.61 16 81 1.6 16 85 1.09 11 86 2.01 20 88 1.01 10 89 3.33 33 90 2.43 24 91 4.73 47 92 1.32 13 98 1.31 13 99 1.97 20 100 1.28 13 101 1.71 17 102 3.93 39 103 6.4 64 104 3.32 33 105 1.29 13 114 1.83 18 115 1.83 18 116 7.22 72 117 3.66 37 118 3.18 32 121 1.62 16 128 2.96 30 129 3.22 32 130 5.91 59 131 5.79 58 132 1.58 16 141 1.54 15 142 1.8 18 143 3.6 36 144 3.37 34 145 4.93 49 146 2.85 29 147 1.53 15 155 1.18 12 156 26.5 265 157 8.07 81 158 5.91 59 159 6.64 66 160 2.54 25 161 1.18 12 169 1.81 18 170 19.44 194 171 49.16 492 172 13.93 139 173 5.74 57 174 10.98 110 175 3.52 35 182 1.05 11 183 1.22 12 184 3.93 39 185 9.21 92 186 3.1 31 187 3.25 33 188 3.24 32 189 2.96 30 196 1.65 17 197 4.96 50 198 5.64 56 199 5.54 55 200 2 20 201 2.02 20 210 1.15 12 211 1.94 19 212 2.36 24 213 21.2 212 214 5.01 50 215 1.48 15 216 2.58 26 217 9.99 100 218 3.92 39 219 1.02 10 225 1.33 13 226 1.78 18 227 3.29 33 228 2.5 25 229 1.2 12 230 1.93 19 231 1.56 16 239 1.21 12 240 1.97 20 241 3.28 33 242 99.99 999 243 19.4 194 244 3.1 31 245 7.09 71 246 1.29 13 254 1.48 15 255 1.32 13 256 38.02 380 257 7.67 77 258 4.76 48 259 1.75 18 270 1.44 14 291 1.07 11 333 2.2 22 343 4.26 43 344 1.07 11 361 2.93 29 //