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
//