MassBank Record: MSBNK-Waters-WA002298
ACCESSION: MSBNK-Waters-WA002298
RECORD_TITLE: Debrisoquin; 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$NAME: Debrisoquin
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-067i-0900000000-8e2dc9af4adcfa29e21b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
79 55 55
91 165 165
92 12 12
103 31 31
105 999 999
106 82 82
107 63 63
108 8 8
115 690 690
117 823 823
118 102 102
119 192 192
120 16 16
130 8 8
132 24 24
134 932 932
135 90 90
140 55 55
142 392 392
143 43 43
144 20 20
159 137 137
160 63 63
176 125 125
177 16 16
183 8 8
//
system version 2.2.6-SNAPSHOT