MassBank Record: MSBNK-Waters-WA002296
ACCESSION: MSBNK-Waters-WA002296
RECORD_TITLE: Debrisoquin; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Debrisoquin
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-6900000000-02312ea08f18e3a5e998
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
77 353 353
79 215 215
80 16 16
89 302 302
91 807 807
92 59 59
93 12 12
95 47 47
102 35 35
103 118 118
105 219 219
106 27 27
107 8 8
113 27 27
115 999 999
116 243 243
117 196 196
118 294 294
119 86 86
127 8 8
130 20 20
132 16 16
134 71 71
140 90 90
141 20 20
142 43 43
143 12 12
144 8 8
159 12 12
176 74 74
177 8 8
//