ACCESSION: MSBNK-Waters-WA002532
RECORD_TITLE: Prenylamine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Prenylamine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-014i-0900000000-a2ee7adc78f6545c7b4f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  103 24 24
  105 12 12
  106 59 59
  115 639 639
  116 16 16
  117 780 780
  118 47 47
  119 168 168
  120 12 12
  132 466 466
  133 27 27
  141 24 24
  152 435 435
  153 47 47
  154 12 12
  165 415 415
  166 172 172
  167 999 999
  168 121 121
  178 20 20
  179 12 12
  180 12 12
  212 27 27
  330 141 141
  331 39 39
//