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MassBank Record: WA001446

Imolamine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA001446
RECORD_TITLE: Imolamine; 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$NAME: Imolamine
CH$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 45 V

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

PK$SPLASH: splash10-00ko-0900000000-2bd4ab0ad714b10eb9a7
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  104 27 27
  113 12 12
  115 615 615
  116 24 24
  117 20 20
  119 86 86
  121 98 98
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  143 999 999
  144 31 31
  145 313 313
  146 20 20
  186 8 8
  188 592 592
  189 51 51
  261 35 35
  265 8 8
//

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