MassBank Record: WA000435

Home Search Record Index

Antazoline; LC-ESI-Q; MS; POS; 75 V, 90 V

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

ACCESSION: WA000435
RECORD_TITLE: Antazoline; 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$NAME: Antazoline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19N3
CH$EXACT_MASS: 265.15789999999998372004483826458454132080078125
CH$SMILES: c(c3)ccc(c3)CN(CC(N2)=NCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
CH$LINK: CAS 91-75-8
CH$LINK: COMPTOX DTXSID3022613
CH$LINK: INCHIKEY REYFJDPCWQRWAA-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: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 13.450 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

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

PK$SPLASH: splash10-0a4i-0900000000-78916f2db15f03999c96
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  104 227 227
  105 145 145
  106 999 999
  107 39 39
  117 55 55
  118 517 517
  119 39 39
  120 12 12
  130 12 12
  131 35 35
  132 392 392
  133 47 47
  145 55 55
  146 51 51
  147 20 20
  152 12 12
  157 35 35
  158 20 20
  161 51 51
  165 12 12
  167 16 16
  173 31 31
  174 259 259
  175 63 63
  178 24 24
  179 31 31
  180 43 43
  181 35 35
  194 16 16
  196 341 341
  197 43 43
  266 35 35
//