MassBank Record: MSBNK-Waters-WA002879
ACCESSION: MSBNK-Waters-WA002879
RECORD_TITLE: 2,5-Dimethoxy amphetamine; 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$NAME: 2,5-Dimethoxy amphetamine
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-05fs-0900000000-aebec89c3697be9ff5a5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
103 227 227
104 35 35
105 235 235
106 74 74
107 325 325
108 102 102
109 74 74
115 149 149
116 27 27
117 20 20
118 270 270
119 35 35
121 999 999
122 59 59
123 200 200
124 31 31
131 82 82
132 55 55
133 71 71
134 20 20
135 31 31
136 31 31
137 20 20
138 27 27
139 31 31
144 8 8
147 47 47
149 760 760
150 51 51
151 102 102
162 12 12
163 16 16
164 180 180
165 8 8
179 39 39
196 43 43
//