MassBank Record: MSBNK-Waters-WA002877
ACCESSION: MSBNK-Waters-WA002877
RECORD_TITLE: 2,5-Dimethoxy amphetamine; 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$NAME: 2,5-Dimethoxy amphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NO2
CH$EXACT_MASS: 195.12593
CH$SMILES: COc(c1)cc(CC([H])(C)N)c(OC)c1
CH$IUPAC: InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m0/s1
CH$LINK: CAS
2801-68-5
CH$LINK: INCHIKEY
LATVFYDIBMDBSY-QMMMGPOBSA-N
CH$LINK: COMPTOX
DTXSID80872984
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.200 min
AC$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: splash10-0w29-0900000000-a95a1f2f4edc3abde044
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
105 8 8
108 12 12
117 8 8
119 20 20
121 157 157
123 110 110
124 8 8
138 63 63
139 59 59
147 24 24
149 78 78
151 999 999
152 71 71
153 8 8
162 24 24
164 521 521
165 39 39
179 427 427
180 43 43
196 47 47
//
system version 2.2.6-SNAPSHOT