MassBank Record: MSBNK-Waters-WA002288
ACCESSION: MSBNK-Waters-WA002288
RECORD_TITLE: MBDB; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: MBDB
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.12593
CH$SMILES: CCC(NC)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3
CH$LINK: CAS
103818-46-8
CH$LINK: INCHIKEY
USWVWJSAJAEEHQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70894039
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.700 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-052r-0900000000-788cbee4171ace5e61be
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
105 599 599
106 31 31
107 27 27
115 16 16
117 12 12
118 317 317
119 39 39
120 8 8
129 8 8
131 16 16
132 12 12
135 999 999
136 63 63
137 8 8
//