MassBank Record: MSBNK-Waters-WA002532
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
//