ACCESSION: MSBNK-Waters-WA001612
RECORD_TITLE: Butalamine; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Butalamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₈N₄O
CH$EXACT_MASS: 316.22631
CH$SMILES: CCCCN(CCCC)CCNc(o2)nc(n2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)
CH$LINK: CAS 22131-35-7
CH$LINK: INCHIKEY VYWQZAARVNRSTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022710

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.660 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014i-0009000000-71b2e14df4bfea05e614
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  317 999 999
  318 231 231
  319 86 86
  320 16 16
  335 74 74
  336 24 24
  353 16 16
  364 121 121
  365 27 27
//