ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011637
RECORD_TITLE: (-)-RIBOFLAVIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, 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
CH$LINK: COMPTOX DTXSID8021777

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
//