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MassBank Record: WA001448

Imolamine; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001448
RECORD_TITLE: Imolamine; LC-ESI-Q; MS; POS; 15 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 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0190000000-3f054b4ce48ced8c4cef
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  121 55 55
  143 141 141
  144 12 12
  188 27 27
  261 999 999
  262 141 141
  263 74 74
  264 16 16
  279 110 110
  280 16 16
//

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