MassBank Record: MSBNK-Keio_Univ-KO001380
ACCESSION: MSBNK-Keio_Univ-KO001380
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-1900000000-adf7f816d92642625bdd
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
44.600 49505.0 57
59.100 217822.0 250
83.300 44554.5 51
126.300 64356.5 74
128.800 301980.5 346
143.100 168317.0 193
143.500 138614.0 159
145.200 34653.5 40
155.600 14851.5 17
170.800 79208.0 91
174.100 871288.0 999
189.100 282178.5 324
//
system version 2.2.6-SNAPSHOT