MassBank Record: MSBNK-Waters-WA000440
ACCESSION: MSBNK-Waters-WA000440
RECORD_TITLE: Vigabatrin; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
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$LINK: COMPTOX
DTXSID4041153
AC$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03dj-6900000000-76d8fd9685b3cf41e0e8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
77 24 24
79 12 12
82 345 345
87 16 16
89 302 302
94 27 27
95 948 948
97 43 43
106 16 16
107 31 31
108 51 51
112 709 709
113 999 999
114 31 31
116 12 12
121 82 82
127 12 12
130 392 392
133 12 12
135 16 16
137 16 16
138 12 12
//