MassBank Record: MSBNK-Waters-WA001447
ACCESSION: MSBNK-Waters-WA001447
RECORD_TITLE: Imolamine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Imolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20N4O
CH$EXACT_MASS: 260.16371
CH$SMILES: CCN(CC)CCN(C(=N)2)C(=NO2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
CH$LINK: CAS
318-23-0
CH$LINK: INCHIKEY
MGSPDRWOUCPKNZ-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 12.240 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0920000000-bac2a06aacf27a870285
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
101 8 8
115 71 71
117 16 16
119 16 16
121 129 129
137 27 27
143 999 999
144 74 74
145 8 8
165 8 8
186 8 8
188 337 337
189 27 27
261 407 407
262 55 55
263 8 8
264 8 8
279 39 39
//
system version 2.2.6-SNAPSHOT