MassBank Record: MSBNK-Waters-WA002106
ACCESSION: MSBNK-Waters-WA002106
RECORD_TITLE: Indalpine; 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$NAME: Indalpine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20N2
CH$EXACT_MASS: 228.16265
CH$SMILES: C1CNCCC1CCC2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
CH$LINK: CAS
63758-79-2
CH$LINK: INCHIKEY
SADQVAVFGNTEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80213196
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.780 min
AC$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: splash10-004i-0390000000-b8fb6fec4d08837d7aab
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
106 114 114
112 94 94
118 20 20
130 125 125
132 20 20
135 16 16
136 39 39
144 47 47
156 27 27
170 35 35
183 20 20
184 47 47
198 16 16
200 24 24
212 439 439
213 55 55
215 12 12
229 999 999
230 118 118
//