ACCESSION: MSBNK-Waters-WA002861
RECORD_TITLE: 4-Methoxyamphetamine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 4-Methoxyamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NO
CH$EXACT_MASS: 165.11536
CH$SMILES: COc(c1)ccc(CC(C)N)c1
CH$IUPAC: InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
CH$LINK: CAS 64-13-1
CH$LINK: INCHIKEY NEGYEDYHPHMHGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7040578

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 10.400 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014i-0900000000-9dc88b217995aae0c1b5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  100 16 16
  102 59 59
  103 239 239
  104 74 74
  105 498 498
  106 349 349
  107 157 157
  108 47 47
  109 16 16
  111 12 12
  113 27 27
  115 893 893
  116 67 67
  117 102 102
  118 979 979
  119 204 204
  121 999 999
  122 43 43
  130 43 43
  131 35 35
  132 90 90
  133 43 43
  134 59 59
  135 12 12
  144 16 16
  147 8 8
  149 145 145
  160 8 8
  166 157 157
//