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MassBank Record: MSJ00483

Tyramine; ESI-QQ; MS; POSITIVE

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSJ00483
RECORD_TITLE: Tyramine; ESI-QQ; MS; POSITIVE
DATE: 2021.01.27
AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan.
LICENSE: CC BY
COPYRIGHT: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan.
PUBLICATION: Daiki Asakawa, Hajime Mizuno, Eiji Sugiyama, and Kenichiro Todoroki, Anal. Chem., 92 (17), 12033-12039 (2020). [DOI: 10.1021/acs.analchem.0c02667]
COMMENT: The sample was injected by direct infusion.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: Tyramine
CH$COMPOUND_CLASS: Non-natural product; Tyramine
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: C1=CC(=CC=C1CCN)O
CH$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$LINK: CHEMSPIDER 5408
CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5610

AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA)
AC$INSTRUMENT_TYPE: ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI

PK$SPLASH: splash10-00di-1900000000-adf2fd7be86f99ebb1c3
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  73.9 76.65 20
  74.2 55.55 14
  81.5 165.1 43
  82.4 22.45 6
  82.8 36.46 9
  89.6 145.4 38
  90.4 47.74 12
  90.9 153.1 40
  92.9 23.38 6
  94.1 235.2 61
  94.8 23.42 6
  95.2 22.15 6
  97.5 228.8 59
  102 169.8 44
  102.2 142.4 37
  103 156 41
  105.4 31 8
  105.6 37.05 10
  109 25.04 7
  110 58.49 15
  110.2 68.75 18
  110.9 22.28 6
  111.1 26.48 7
  121.1 3844 999
  122.1 384.9 100
  122.9 22.75 6
  123.2 43.16 11
  134.1 28.02 7
  135.1 71.11 18
  138.1 221.1 57
  139.2 29.45 8
  142.1 41.88 11
  144.1 58 15
  149.1 26.41 7
  151.1 87.18 23
  153.1 29.11 8
  156.1 193.1 50
  157.2 27.4 7
  158.1 68.29 18
  167.1 156.3 41
  173.2 22.17 6
  174.2 33.13 9
  181.1 40.86 11
  183 131 34
  185.1 47.52 12
  190 22.84 6
  195.1 31.32 8
  202.2 32.19 8
  207.2 28.88 8
//

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