MassBank Record: MSBNK-Waters-WA001833
ACCESSION: MSBNK-Waters-WA001833
RECORD_TITLE: Antipyrine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Antipyrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O
CH$EXACT_MASS: 188.09496
CH$SMILES: CC(=C2)N(C)N(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
CH$LINK: CAS
60-80-0
CH$LINK: INCHIKEY
VEQOALNAAJBPNY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021117
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.790 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0159-0900000000-cb1c57da323ada8471d1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
102 137 137
103 227 227
104 482 482
105 219 219
106 400 400
107 47 47
108 8 8
115 337 337
116 74 74
117 235 235
118 999 999
119 121 121
120 47 47
121 8 8
128 59 59
129 71 71
130 349 349
131 368 368
132 180 180
133 55 55
134 20 20
136 12 12
142 8 8
143 20 20
144 78 78
145 172 172
146 59 59
147 47 47
156 16 16
157 8 8
158 12 12
159 16 16
160 8 8
169 16 16
170 8 8
172 8 8
173 16 16
189 12 12
//