ACCESSION: MSBNK-Waters-WA001607
RECORD_TITLE: Butalamine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-014j-0900000000-33880dc35eda80f9b739
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  100 110 110
  101 8 8
  103 8 8
  104 110 110
  105 137 137
  106 8 8
  112 8 8
  113 16 16
  114 16 16
  115 8 8
  116 8 8
  117 176 176
  118 999 999
  119 149 149
  120 8 8
  142 12 12
  143 94 94
  145 854 854
  146 71 71
  156 20 20
  158 20 20
  188 67 67
  189 8 8
  199 39 39
  317 24 24
//