ACCESSION: MSBNK-Waters-WA002432
RECORD_TITLE: Tryptamine; 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$NAME: Tryptamine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-014l-3900000000-5cfcbd306e35487ac3b8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  77 204 204
  78 31 31
  89 161 161
  90 188 188
  91 733 733
  92 39 39
  95 59 59
  101 24 24
  102 39 39
  103 67 67
  104 31 31
  105 12 12
  115 999 999
  116 262 262
  117 674 674
  118 114 114
  119 12 12
  126 24 24
  127 129 129
  128 125 125
  129 43 43
  130 35 35
  142 137 137
  143 509 509
  144 165 165
  145 51 51
  146 20 20
  155 12 12
//