MassBank Record: MSBNK-Waters-WA002297
ACCESSION: MSBNK-Waters-WA002297
RECORD_TITLE: Debrisoquin; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-2900000000-23b2053027bfc61b2600
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
77 86 86
79 165 165
80 8 8
89 47 47
91 419 419
92 31 31
93 8 8
95 16 16
102 8 8
103 90 90
105 548 548
106 47 47
107 27 27
115 999 999
116 231 231
117 364 364
118 192 192
119 165 165
120 12 12
130 12 12
132 20 20
134 188 188
135 16 16
140 86 86
142 153 153
143 20 20
144 16 16
159 24 24
160 16 16
176 43 43
//
system version 2.2.6-SNAPSHOT