ACCESSION: MSBNK-Waters-WA002433
RECORD_TITLE: Tryptamine; 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$NAME: Tryptamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂
CH$EXACT_MASS: 160.10005
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
CH$LINK: CAS 61-54-1
CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075340

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 11.010 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$SPLASH: splash10-00kf-0900000000-cd7d85d65d577afd5c56
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  77 78 78
  78 12 12
  89 27 27
  91 353 353
  92 24 24
  95 24 24
  103 94 94
  104 35 35
  105 16 16
  115 721 721
  116 129 129
  117 999 999
  118 157 157
  119 12 12
  127 251 251
  128 204 204
  129 55 55
  130 39 39
  131 12 12
  132 24 24
  142 39 39
  143 740 740
  144 995 995
  145 200 200
  146 47 47
  155 27 27
  168 27 27
//