ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003780
RECORD_TITLE: 2-(2,3-DIHYDROXYBUTOXY)-N-(2-(DIETHYLAMINO)ETHYL)-3-PYRIDINECARBOXAMIDE; 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$NAME: 2-(2,3-DIHYDROXYBUTOXY)-N-(2-(DIETHYLAMINO)ETHYL)-3-PYRIDINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₇N₃O₄
CH$EXACT_MASS: 325.20016
CH$SMILES: CCN(CC)CCNC(=O)c(c1)c(ncc1)OCC(O)C(C)O
CH$IUPAC: InChI=1S/C16H27N3O4/c1-4-19(5-2)10-9-17-15(22)13-7-6-8-18-16(13)23-11-14(21)12(3)20/h6-8,12,14,20-21H,4-5,9-11H2,1-3H3,(H,17,22)
CH$LINK: INCHIKEY MKGNZJFTXMZFGI-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$SPLASH: splash10-000i-9013000000-8331b33dc02039072d94
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  69 1.53 15
  71 7.84 78
  85 1.98 20
  86 99.99 999
  87 6.48 65
  99 26.93 269
  100 6.77 68
  165 6.09 61
  238 15.8 158
  239 1.4 14
  308 2.17 22
  326 37.09 371
  327 4.56 46
  382 9.96 100
  383 2.09 21
//