MassBank Record: MSBNK-Keio_Univ-KO004144
ACCESSION: MSBNK-Keio_Univ-KO004144
RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0900000000-5198dc18989eb021ff2b
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
40.600 19802.0 1
56.000 34653.5 1
56.200 29703.0 1
59.000 69307.0 1
64.600 24752.5 1
66.000 435644.0 4
67.000 113861.5 1
69.100 74257.5 1
71.800 831684.0 8
74.200 24752.5 1
77.000 608911.5 6
78.100 123762.5 1
79.100 99010.0 1
80.100 29703.0 1
80.700 148515.0 1
82.000 69307.0 1
83.200 79208.0 1
84.300 113861.5 1
89.800 64356.5 1
91.100 4712876.0 46
95.100 94059.5 1
98.200 44554.5 1
99.000 821783.0 8
100.700 34653.5 1
101.300 89109.0 1
103.200 2297032.0 23
104.200 341584.5 3
105.000 69307.0 1
111.200 44554.5 1
112.300 54455.5 1
113.000 39604.0 1
115.300 11554467.0 114
116.200 2386141.0 24
117.200 49920842.0 492
118.200 1732675.0 17
125.800 84158.5 1
127.000 13811895.0 136
128.200 5143569.5 51
129.100 1267328.0 12
129.800 89109.0 1
132.100 772278.0 8
133.200 24752.5 1
134.100 99010.0 1
140.200 34653.5 1
142.200 1356437.0 13
143.100 27821810.0 274
144.200 101341685.5 999
145.200 2925745.5 29
146.300 391089.5 4
155.200 138614.0 1
161.300 178218.0 2
//