MassBank Record: MSBNK-Waters-WA002231
ACCESSION: MSBNK-Waters-WA002231
RECORD_TITLE: Iproniazid; 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$NAME: Iproniazid
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-9200000000-638f945b1e6c2454c1f8
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
78 188 188
79 999 999
80 204 204
93 110 110
96 16 16
105 27 27
107 16 16
108 20 20
119 12 12
121 259 259
122 12 12
//