ACCESSION: MSBNK-Waters-WA002533
RECORD_TITLE: Prenylamine; 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$NAME: Prenylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₇N
CH$EXACT_MASS: 329.21435
CH$SMILES: CC(NCCC(c(c3)cccc3)c(c2)cccc2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
CH$LINK: CAS 390-64-7
CH$LINK: INCHIKEY IFFPICMESYHZPQ-UHFFFAOYSA-N

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 18.300 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$SPLASH: splash10-014i-0901000000-8a5fa10c3c1ac3c4bf9d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  105 16 16
  115 102 102
  117 834 834
  118 24 24
  119 999 999
  120 82 82
  132 380 380
  133 16 16
  148 27 27
  152 35 35
  153 12 12
  158 12 12
  165 51 51
  166 12 12
  167 897 897
  168 110 110
  195 82 82
  196 12 12
  212 255 255
  213 35 35
  330 404 404
  331 86 86
  332 12 12
//