MassBank Record: MSBNK-Waters-WA000435
ACCESSION: MSBNK-Waters-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: 265.15790
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: INCHIKEY
REYFJDPCWQRWAA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3022613
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.450 min
AC$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: splash10-0a4i-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
//
system version 2.2.6-SNAPSHOT