ACCESSION: MSBNK-Waters-WA001610
RECORD_TITLE: Butalamine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-000b-0900000000-8a209e38b2182c5fe0ff
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  100 118 118
  104 16 16
  113 8 8
  114 59 59
  115 16 16
  119 51 51
  121 98 98
  122 8 8
  130 71 71
  137 27 27
  142 16 16
  143 360 360
  144 24 24
  145 141 141
  146 12 12
  156 290 290
  157 31 31
  173 8 8
  188 709 709
  189 82 82
  199 999 999
  200 129 129
  201 8 8
  242 12 12
  317 106 106
  318 24 24
  335 8 8
  363 8 8
//