ACCESSION: MSBNK-Waters-WA001796
RECORD_TITLE: Benserazide; LC-ESI-Q; MS; POS; 45 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0ukl-0900000000-b60cfe94c0fc3d3c5e39
PK$ANNOTATION: m/z type
  280 [M+Na]+
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  103 999 999
  104 16 16
  106 24 24
  108 8 8
  111 71 71
  112 8 8
  114 8 8
  117 16 16
  120 509 509
  121 78 78
  126 8 8
  130 27 27
  132 20 20
  139 799 799
  140 59 59
  142 548 548
  143 16 16
  154 8 8
  161 31 31
  209 55 55
  258 35 35
  259 8 8
  264 12 12
  280 94 94
  281 8 8
  296 16 16
  297 8 8
//