ACCESSION: MSBNK-Keio_Univ-KO004145
RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T031

CH$NAME: Tryptamine
CH$NAME: 3-(2-Aminoethyl)indole
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$LINK: CHEBI 16765
CH$LINK: KEGG C00398
CH$LINK: NIKKAJI J4.816J
CH$LINK: PUBCHEM SID:3688
CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075340

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014l-2900000000-3b3b79050401c23f0c22
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  38.800 69307.0 2
  40.700 34653.5 1
  42.100 29703.0 1
  50.600 14851.5 1
  54.100 39604.0 1
  57.000 14851.5 1
  65.000 509901.5 13
  66.000 910892.0 23
  67.100 589109.5 15
  67.700 128713.0 3
  70.700 19802.0 1
  72.100 757426.5 19
  77.000 5702976.0 147
  77.900 336634.0 9
  79.100 163366.5 4
  80.100 19802.0 1
  81.100 183168.5 5
  82.100 54455.5 1
  83.800 24752.5 1
  88.700 158416.0 4
  89.000 970298.0 25
  90.000 1178219.0 30
  91.000 21381209.5 550
  93.000 79208.0 2
  93.300 19802.0 1
  95.000 405941.0 10
  97.100 29703.0 1
  98.900 123762.5 3
  101.200 777228.5 20
  101.800 702971.0 18
  103.100 3242577.5 83
  104.000 475248.0 12
  105.200 227723.0 6
  106.100 84158.5 2
  110.900 34653.5 1
  115.300 28524781.0 734
  116.200 6089115.0 157
  117.100 38841623.0 999
  118.200 1440595.5 37
  119.100 94059.5 2
  125.100 44554.5 1
  126.200 702971.0 18
  127.100 12178230.0 313
  128.000 5361391.5 138
  128.900 1326734.0 34
  130.000 138614.0 4
  131.100 113861.5 3
  132.100 168317.0 4
  133.800 173267.5 4
  135.700 19802.0 1
  138.900 14851.5 1
  141.000 99010.0 3
  142.100 3084161.5 79
  142.900 28534682.0 734
  144.200 11351496.5 292
  145.300 1564358.0 40
  146.000 198020.0 5
  154.800 99010.0 3
  160.300 14851.5 1
  161.100 34653.5 1
//