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
//