ACCESSION: MSBNK-Waters-WA001444
RECORD_TITLE: Imolamine; 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$NAME: Imolamine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-00kb-0900000000-2b92d89e812be813a3dc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  104 270 270
  105 118 118
  106 8 8
  113 20 20
  115 262 262
  117 188 188
  118 137 137
  119 102 102
  120 8 8
  121 8 8
  137 8 8
  143 51 51
  145 999 999
  146 78 78
  162 8 8
  188 86 86
  189 8 8
  261 8 8
//