MassBank Record: MSBNK-Waters-WA002293
ACCESSION: MSBNK-Waters-WA002293
RECORD_TITLE: MDEA; 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$NAME: MDEA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.12593
CH$SMILES: CCNC(C)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
CH$LINK: CAS
82801-81-8
CH$LINK: INCHIKEY
PVXVWWANJIWJOO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70860971
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.350 min
AC$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: splash10-0bu9-0900000000-3f75bd72dce644ca2ec7
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
103 20 20
105 940 940
106 47 47
115 8 8
122 20 20
123 12 12
133 717 717
135 901 901
136 55 55
151 20 20
163 999 999
164 71 71
165 12 12
174 12 12
208 102 102
209 8 8
//