MassBank Record: MSBNK-Waters-WA002232
ACCESSION: MSBNK-Waters-WA002232
RECORD_TITLE: Iproniazid; 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$NAME: Iproniazid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N3O
CH$EXACT_MASS: 179.10586
CH$SMILES: CC(C)NNC(=O)c(c1)ccnc1
CH$IUPAC: InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
CH$LINK: CAS
54-92-2
CH$LINK: INCHIKEY
NYMGNSNKLVNMIA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023168
AC$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$CHROMATOGRAPHY: RETENTION_TIME 8.000 min
AC$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: splash10-00b9-9800000000-8c8d28d657e80c66da09
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
78 282 282
79 842 842
80 247 247
81 12 12
92 16 16
93 149 149
94 16 16
96 24 24
105 31 31
106 63 63
107 74 74
108 35 35
109 27 27
119 16 16
120 24 24
121 999 999
122 51 51
123 20 20
137 74 74
138 78 78
//