ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003968
RECORD_TITLE: 2-(3-HYDROXYBUTOXY)-N-(2-(ETHYLAMINO)ETHYL)-4-QUINORINECARBOXAMIDE; CI-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$NAME: 2-(3-HYDROXYBUTOXY)-N-(2-(ETHYLAMINO)ETHYL)-4-QUINORINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅N₃O₃
CH$EXACT_MASS: 331.18959
CH$SMILES: CCNCCNC(=O)c(c1)c(c2)c(ccc2)nc(OCCC(C)O)1
CH$IUPAC: InChI=1S/C18H25N3O3/c1-3-19-9-10-20-18(23)15-12-17(24-11-8-13(2)22)21-16-7-5-4-6-14(15)16/h4-7,12-13,19,22H,3,8-11H2,1-2H3,(H,20,23)
CH$LINK: INCHIKEY MBWJSJFBWIRQEQ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-01q9-3296000000-ca257f3379d46d0031c1
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  65 1.73 17
  66 5.38 54
  68 2.59 26
  69 7.04 70
  70 3.81 38
  71 40.18 402
  72 11.89 119
  74 2.12 21
  79 1.43 14
  80 1.86 19
  81 0.67 7
  82 0.23 2
  84 3.13 31
  85 7.44 74
  86 2.38 24
  87 1.9 19
  89 3.04 30
  95 1.75 18
  98 0.91 9
  99 5.1 51
  100 1.76 18
  107 1.06 11
  113 2.97 30
  115 4.83 48
  116 1.99 20
  131 1.65 17
  133 1.23 12
  134 1.28 13
  144 1.64 16
  145 6.18 62
  146 8.29 83
  160 3.86 39
  171 5.03 50
  172 2.79 28
  173 1.92 19
  174 3.2 32
  186 2.5 25
  188 2.45 25
  189 7.51 75
  200 0.8 8
  201 23.11 231
  212 3.5 35
  213 2.21 22
  214 1.77 18
  215 9.15 92
  216 2.35 24
  217 10.95 110
  218 4.9 49
  225 0.96 10
  226 0.37 4
  227 2.13 21
  228 0.96 10
  229 1.7 17
  240 2.75 28
  241 1.83 18
  242 7.65 77
  243 6.07 61
  245 42.46 425
  255 3.64 36
  256 2.01 20
  258 10.77 108
  261 99.99 999
  271 1.14 11
  272 0.5 5
  275 1.41 14
  283 1.86 19
  285 0.51 5
  287 5.02 50
  288 5.85 59
  289 1.85 19
  298 1.16 12
  299 1.72 17
  301 3.09 31
  313 2.34 23
  315 21.24 212
  316 6.68 67
  317 7.13 71
  318 0.49 5
  328 0.69 7
  330 11.78 118
  332 90.34 903
  333 28.88 289
  334 4.56 46
//