MassBank Record: MSBNK-Keio_Univ-KO003403
ACCESSION: MSBNK-Keio_Univ-KO003403
RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:20 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 M040
CH$NAME: 5-Methoxytryptamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14N2O
CH$EXACT_MASS: 190.11061
CH$SMILES: COC1=CC2=C(C=C1)NC=C2CCN
CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
CH$LINK: CAS
608-07-1
CH$LINK: KEGG
C05659
CH$LINK: NIKKAJI
J7.009B
CH$LINK: PUBCHEM
SID:7970
CH$LINK: INCHIKEY
JTEJPPKMYBDEMY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60209638
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 191
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-f1d40ff7aa6c88ecdfd5
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
55.300 44554.5 1
62.200 153465.5 1
65.200 9901.0 1
71.300 108911.0 1
81.000 79208.0 1
81.300 24752.5 1
83.400 29703.0 1
85.000 34653.5 1
90.800 94059.5 1
94.900 24752.5 1
96.400 14851.5 1
105.100 391089.5 1
105.800 128713.0 1
106.600 19802.0 1
108.500 24752.5 1
114.100 44554.5 1
115.100 237624.0 1
117.200 554456.0 2
118.100 163366.5 1
120.500 34653.5 1
126.300 59406.0 1
128.300 84158.5 1
128.800 143564.5 1
129.900 440594.5 1
131.200 1297031.0 4
132.100 173267.5 1
134.200 29703.0 1
137.900 19802.0 1
141.300 59406.0 1
142.300 1044555.5 3
143.100 3826736.5 12
144.100 1173268.5 4
145.100 89109.0 1
146.200 445545.0 1
147.100 772278.0 2
148.400 247525.0 1
155.400 44554.5 1
156.100 128713.0 1
157.400 24752.5 1
158.000 232673.5 1
159.200 12059418.0 38
162.100 638614.5 2
170.800 24752.5 1
172.900 74257.5 1
173.700 4990104.0 16
174.200 313099323.0 999
191.300 257426.0 1
//
system version 2.2.6-SNAPSHOT