MassBank Record: MSBNK-Waters-WA002719
ACCESSION: MSBNK-Waters-WA002719
RECORD_TITLE: Isocarboxazid; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Isocarboxazid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13N3O2
CH$EXACT_MASS: 231.10078
CH$SMILES: Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
CH$LINK: CAS
59-63-2
CH$LINK: INCHIKEY
XKFPYPQQHFEXRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023171
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.380 min
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a59-0930000000-e74c0d8337bed8d05079
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
103 82 82
104 145 145
106 999 999
110 24 24
114 12 12
115 161 161
116 16 16
120 16 16
122 51 51
124 16 16
127 12 12
129 16 16
130 27 27
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158 8 8
162 31 31
166 24 24
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173 8 8
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184 27 27
185 12 12
187 16 16
188 12 12
190 27 27
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200 16 16
205 8 8
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219 12 12
229 8 8
232 501 501
233 67 67
234 16 16
235 8 8
244 8 8
249 27 27
250 16 16
251 8 8
254 27 27
255 8 8
268 8 8
270 8 8
//