MassBank Record: MSBNK-Waters-WA000404
ACCESSION: MSBNK-Waters-WA000404
RECORD_TITLE: MDA; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: MDA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC(N)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
CH$LINK: CAS
4764-17-4
CH$LINK: INCHIKEY
NGBBVGZWCFBOGO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40859958
AC$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$CHROMATOGRAPHY: RETENTION_TIME 9.800 min
AC$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: splash10-056r-5900000000-9381f759a61718ef7370
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
77 568 568
79 874 874
80 51 51
82 8 8
90 35 35
91 20 20
93 39 39
95 24 24
103 345 345
105 999 999
106 86 86
107 8 8
108 20 20
115 24 24
118 8 8
121 51 51
122 35 35
126 16 16
133 208 208
135 611 611
136 51 51
144 12 12
147 20 20
148 20 20
149 27 27
162 8 8
163 114 114
164 12 12
180 43 43
198 12 12
//