MassBank Record: MSBNK-Waters-WA002891
ACCESSION: MSBNK-Waters-WA002891
RECORD_TITLE: 4-Hydroxydebrisoquin; 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$NAME: 4-Hydroxydebrisoquin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N3O
CH$EXACT_MASS: 191.10586
CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C(O)1
CH$IUPAC: InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
CH$LINK: CAS
59333-79-8
CH$LINK: INCHIKEY
AKFURXZANOMQBD-UHFFFAOYSA-N
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 2.220 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$SPLASH: splash10-0159-1900000000-04bde6291735ab96fd85
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
77 82 82
79 102 102
80 8 8
86 8 8
89 51 51
90 102 102
91 110 110
103 251 251
105 149 149
106 12 12
115 999 999
117 842 842
118 78 78
128 12 12
130 803 803
131 110 110
132 196 196
133 16 16
157 16 16
192 16 16
//
system version 2.2.6-SNAPSHOT