MassBank Record: MSBNK-Waters-WA002878
ACCESSION: MSBNK-Waters-WA002878
RECORD_TITLE: 2,5-Dimethoxy amphetamine; 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$NAME: 2,5-Dimethoxy amphetamine
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-022a-0900000000-90773447f745e3717b03
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
103 35 35
104 12 12
105 63 63
106 27 27
107 106 106
108 71 71
109 39 39
115 55 55
116 8 8
117 35 35
118 59 59
119 43 43
121 999 999
122 55 55
123 302 302
124 35 35
131 24 24
132 43 43
133 51 51
134 12 12
135 27 27
136 35 35
137 8 8
138 106 106
139 125 125
140 8 8
147 47 47
149 823 823
150 24 24
151 576 576
152 35 35
162 55 55
164 705 705
165 47 47
179 94 94
180 8 8
196 47 47
//