MassBank Record: MSBNK-Waters-WA001348
ACCESSION: MSBNK-Waters-WA001348
RECORD_TITLE: Amidopyrine; 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$NAME: Amidopyrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H17N3O
CH$EXACT_MASS: 231.13716
CH$SMILES: CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
CH$LINK: CAS
58-15-1
CH$LINK: INCHIKEY
RMMXTBMQSGEXHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020504
AC$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$CHROMATOGRAPHY: RETENTION_TIME 10.790 min
AC$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: splash10-03di-0900000000-0c24d10720dab21064d0
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
100 8 8
106 59 59
108 12 12
111 870 870
112 35 35
113 999 999
114 63 63
115 8 8
118 94 94
119 8 8
123 8 8
130 8 8
132 47 47
133 8 8
134 12 12
135 35 35
139 16 16
146 20 20
149 51 51
158 8 8
159 90 90
160 8 8
175 12 12
177 35 35
187 20 20
188 20 20
209 8 8
216 8 8
217 12 12
232 47 47
254 35 35
//