MassBank Record: MSBNK-Waters-WA002299
ACCESSION: MSBNK-Waters-WA002299
RECORD_TITLE: Debrisoquin; 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$NAME: Debrisoquin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N3
CH$EXACT_MASS: 175.11095
CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
CH$LINK: CAS
1131-64-2
CH$LINK: INCHIKEY
JWPGJSVJDAJRLW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7022885
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.390 min
AC$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: splash10-053r-0900000000-201239c0a6b0d91d7ce8
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
91 20 20
105 396 396
106 27 27
107 20 20
115 71 71
117 372 372
118 24 24
119 35 35
132 8 8
134 999 999
135 180 180
136 8 8
140 8 8
142 196 196
143 20 20
159 278 278
160 63 63
176 470 470
177 55 55
//