MassBank Record: MSBNK-Waters-WA001795
ACCESSION: MSBNK-Waters-WA001795
RECORD_TITLE: Benserazide; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Benserazide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15N3O5
CH$EXACT_MASS: 257.10117
CH$SMILES: OCC(N)C(=O)NNCc(c1)c(O)c(O)c(O)c1
CH$IUPAC: InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
CH$LINK: CAS
322-35-0
CH$LINK: INCHIKEY
BNQDCRGUHNALGH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022651
AC$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$CHROMATOGRAPHY: RETENTION_TIME 2.380 min
AC$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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0079-0920000000-d248ef29b29086342f61
PK$ANNOTATION: m/z type
280 [M+Na]+
296 [M+K]+
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
100 16 16
103 215 215
106 55 55
107 39 39
108 24 24
109 12 12
111 309 309
112 51 51
117 90 90
118 16 16
120 200 200
121 521 521
123 8 8
125 16 16
130 71 71
132 27 27
133 24 24
136 12 12
139 999 999
140 24 24
142 451 451
143 20 20
152 20 20
154 12 12
158 8 8
161 16 16
163 12 12
177 8 8
183 24 24
184 8 8
209 20 20
210 12 12
211 8 8
228 12 12
240 12 12
252 8 8
254 8 8
258 94 94
259 12 12
274 8 8
280 435 435
281 12 12
282 12 12
284 12 12
296 102 102
297 8 8
298 8 8
//