ACCESSION: MSBNK-Waters-WA001609
RECORD_TITLE: Butalamine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0002-0900000000-7e98838da00479ed0ee8
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100 400 400
  101 24 24
  104 102 102
  105 12 12
  113 12 12
  114 141 141
  115 82 82
  117 16 16
  118 55 55
  119 133 133
  120 12 12
  121 51 51
  130 63 63
  131 8 8
  137 24 24
  142 24 24
  143 725 725
  144 24 24
  145 999 999
  146 90 90
  147 12 12
  156 200 200
  157 24 24
  171 16 16
  173 8 8
  184 8 8
  188 642 642
  189 74 74
  190 8 8
  199 494 494
  200 71 71
  201 8 8
  317 27 27
//