MassBank Record: MSBNK-Waters-WA002104
ACCESSION: MSBNK-Waters-WA002104
RECORD_TITLE: Indalpine; 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$NAME: Indalpine
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-053r-0900000000-2703ec4b78d2fdafa71e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
103 27 27
106 396 396
107 31 31
108 24 24
112 78 78
115 12 12
117 43 43
118 168 168
119 12 12
120 47 47
122 24 24
128 16 16
129 27 27
130 999 999
131 86 86
132 78 78
134 12 12
136 16 16
143 78 78
144 235 235
145 24 24
146 20 20
154 20 20
155 20 20
156 121 121
157 31 31
158 27 27
168 94 94
169 59 59
170 59 59
171 16 16
182 67 67
183 43 43
184 78 78
197 12 12
212 63 63
229 39 39
//