ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010097
RECORD_TITLE: 2-(3-(1-METHYLETHYLAMINO)-2-HYDROXYPROPYLOXYETHYL)-2,5,7,8-TETRAMETHYL-6-(3-PYRIDINECARBOXY)-3,4-DIHYDRO-2HBENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(3-(1-METHYLETHYLAMINO)-2-HYDROXYPROPYLOXYETHYL)-2,5,7,8-TETRAMETHYL-6-(3-PYRIDINECARBOXY)-3,4-DIHYDRO-2HBENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H38N2O5
CH$EXACT_MASS: 470.27807
CH$SMILES: C(C1)C(Oc(c2C)c1c(c(C(=O)Oc(c3)cncc3)c2C)C)(C)CCOCC(O)CNC(C)C
CH$IUPAC: InChI=1S/C27H38N2O5/c1-17(2)29-14-21(30)16-32-13-11-27(6)10-9-23-20(5)24(18(3)19(4)25(23)34-27)26(31)33-22-8-7-12-28-15-22/h7-8,12,15,17,21,29-30H,9-11,13-14,16H2,1-6H3
CH$LINK: INCHIKEY PSRVQJBDDHENFU-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-00di-4960300000-d6323853595c6e79b67b
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  27 1.82 18
  28 4.88 49
  29 1.42 14
  30 13.95 140
  39 1.16 12
  41 9.09 91
  42 2.04 20
  43 12.38 124
  44 2.16 22
  51 3.49 35
  53 1.68 17
  55 4.07 41
  56 6.61 66
  57 2.49 25
  58 7.74 77
  67 1.59 16
  69 6.42 64
  70 2.6 26
  72 40.48 405
  73 1.64 16
  74 1.42 14
  77 1.59 16
  78 21.14 211
  79 10.9 109
  80 1.78 18
  81 4.39 44
  84 1.68 17
  91 2.42 24
  93 3.35 34
  98 9.44 94
  100 7.54 75
  105 2.16 22
  106 96.32 963
  108 16.12 161
  114 2.45 25
  116 3.22 32
  119 1.64 16
  121 5.85 59
  122 2.39 24
  123 2.39 24
  124 5.58 56
  130 1.82 18
  135 5.54 55
  136 5.41 54
  137 2.56 26
  138 1.59 16
  144 13.23 132
  145 1.76 18
  149 2.49 25
  151 1.51 15
  152 1.53 15
  161 2.14 21
  162 4.5 45
  163 2.78 28
  164 42.98 430
  165 34.17 342
  166 4.01 40
  173 1.37 14
  174 1.81 18
  175 3.3 33
  176 2.91 29
  177 17.4 174
  178 3.3 33
  179 8.1 81
  180 1.92 19
  184 2 20
  187 1.76 18
  188 2.09 21
  189 8.81 88
  190 4.17 42
  191 2.31 23
  197 1.98 20
  203 16.47 165
  204 8.59 86
  205 8.6 86
  207 9.14 91
  214 2.04 20
  215 2.08 21
  216 1.49 15
  217 5.27 53
  219 1.97 20
  221 30.5 305
  222 4.5 45
  231 27.76 278
  232 60.78 608
  233 15.31 153
  234 1.76 18
  237 2.45 25
  239 22.29 223
  240 3.51 35
  250 3.3 33
  251 2.99 30
  270 4.59 46
  289 1.98 20
  292 2.17 22
  307 13.53 135
  308 3.59 36
  310 1.53 15
  337 6.86 69
  338 2.3 23
  354 2.91 29
  355 1.67 17
  364 1.43 14
  398 2.44 24
  452 2.25 23
  455 2.25 23
  470 99.99 999
  471 31.95 320
  472 6.02 60
//
