MassBank Record: MSBNK-Keio_Univ-KO004082
ACCESSION: MSBNK-Keio_Univ-KO004082
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:10 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 T008
CH$NAME: Tyramine
CH$NAME: 2-(p-Hydroxyphenyl)ethylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: CAS
51-67-2
CH$LINK: CHEBI
15760
CH$LINK: KEGG
C00483
CH$LINK: NIKKAJI
J4.123H
CH$LINK: PUBCHEM
SID:3766
CH$LINK: INCHIKEY
DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2043874
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-51c6cc08017f1672b791
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
58.700 49505.0 1
61.000 103960.5 1
73.200 29703.0 1
77.000 143564.5 1
77.900 8910900.0 29
79.800 59406.0 1
83.300 69307.0 1
84.700 19802.0 1
88.100 118812.0 1
89.400 242574.5 1
90.900 356436.0 1
93.100 965347.5 3
95.400 59406.0 1
96.600 34653.5 1
99.600 232673.5 1
100.500 19802.0 1
102.800 1113862.5 4
106.000 262376.5 1
108.000 84158.5 1
121.000 302772580.0 999
138.200 108440702.5 358
//