MassBank Record: MSBNK-Waters-WA001445
ACCESSION: MSBNK-Waters-WA001445
RECORD_TITLE: Imolamine; LC-ESI-Q; MS; POS; 60 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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kb-0900000000-91ba2d4c63322fb10ad6
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
101 31 31
104 168 168
105 35 35
113 24 24
115 674 674
116 35 35
117 59 59
118 31 31
119 137 137
120 16 16
121 31 31
137 27 27
143 294 294
145 999 999
146 67 67
147 8 8
171 8 8
188 337 337
189 31 31
265 8 8
//