MassBank Record: MSBNK-Waters-WA000441

Vigabatrin; LC-ESI-Q; MS; POS; 30 V

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ACCESSION: MSBNK-Waters-WA000441
RECORD_TITLE: Vigabatrin; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: Vigabatrin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.07898
CH$SMILES: C=CC(N)CCC(O)=O
CH$IUPAC: InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
CH$LINK: CAS 60643-86-9
CH$LINK: INCHIKEY PJDFLNIOAUIZSL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041153

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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 2.420 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 30 V

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

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PK$SPLASH: splash10-03di-0900000000-baa9404a8224eeb6a2cc
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  95 74 74
  112 31 31
  113 999 999
  114 59 59
  130 106 106
  131 12 12
//