MassBank Record: MSBNK-Waters-WA002234
ACCESSION: MSBNK-Waters-WA002234
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001r-0900000000-23adeaf6691bb83d35c7
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
80 82 82
101 31 31
105 20 20
109 16 16
121 357 357
122 39 39
123 27 27
124 16 16
137 16 16
138 744 744
139 35 35
180 999 999
181 78 78
//