MassBank Record: MSBNK-Waters-WA002233
ACCESSION: MSBNK-Waters-WA002233
RECORD_TITLE: Iproniazid; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00dr-1900000000-4646abba1a8cdf113ede
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
78 43 43
79 102 102
80 192 192
92 20 20
93 24 24
101 12 12
105 16 16
106 51 51
107 39 39
108 20 20
109 35 35
120 47 47
121 999 999
122 59 59
123 39 39
137 106 106
138 419 419
139 24 24
180 82 82
//