MassBank Record: MSBNK-Keio_Univ-KO004085
ACCESSION: MSBNK-Keio_Univ-KO004085
RECORD_TITLE: Tyramine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9100000000-5f044e831c0d2db255fa
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
39.200 64356.5 1
41.000 143564.5 2
43.000 84158.5 1
44.300 29703.0 1
51.100 1049506.0 14
53.100 143564.5 2
55.000 252475.5 3
56.800 14851.5 1
62.900 29703.0 1
65.100 3262379.5 44
66.100 173267.5 2
66.800 123762.5 2
70.500 29703.0 1
72.500 14851.5 1
74.900 54455.5 1
77.000 74000074.0 999
78.200 1014852.5 14
78.900 128713.0 2
80.800 143564.5 2
82.900 24752.5 1
90.000 24752.5 1
91.000 20603981.0 278
93.200 2029705.0 27
94.300 1826734.5 25
95.000 4495054.0 61
101.000 94059.5 1
102.000 1559407.5 21
103.200 12490111.5 169
105.200 143564.5 2
111.300 118812.0 2
118.900 173267.5 2
119.900 227723.0 3
121.300 1069308.0 14
129.000 9901.0 1
//