ACCESSION: MSBNK-MSSJ-MSJ00492
RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; ESI-QQ; MS; POSITIVE
DATE: 2021.01.24
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$NAME: 2-(4-Methoxyphenyl)ethylamine
CH$COMPOUND_CLASS: Non-natural product; Phenethylamine
CH$FORMULA: C₉H₁₃NO
CH$EXACT_MASS: 151.09971
CH$SMILES: COC1=CC=C(C=C1)CCN
CH$IUPAC: InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
CH$LINK: CAS 55-81-2
CH$LINK: CHEBI 266039
CH$LINK: CHEMSPIDER 4496
CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4657

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$SPLASH: splash10-000i-0900000000-b62dfe9bfee09bc09d10
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  74.1 71.31 14
  81.5 171.6 33
  90.4 38.54 7
  90.7 64.13 12
  93.9 26.31 5
  94.1 31.15 6
  97.6 253.5 49
  102.1 271.8 52
  102.9 38.68 7
  105.1 334.5 64
  109.2 36.64 7
  109.8 25.25 5
  110.2 32.2 6
  120.1 67.47 13
  121.1 24.86 5
  125.9 38.67 7
  126.1 60.37 12
  130.4 86.4 17
  130.6 50.26 10
  135.1 5213 999
  136.2 603.2 116
  137.1 48.4 9
  139.1 38.27 7
  144.1 41.13 8
  149.1 58.14 11
  152.2 327.3 63
  153.2 68.4 13
  155.2 25.51 5
  156.1 71.17 14
  157.2 61.9 12
  158.1 91.61 18
  167.1 209.6 40
  169.2 38.7 7
  174.2 32.64 6
  181.1 39.94 8
  183.0 72.04 14
  185.0 29.85 6
  185.2 26.13 5
  190.1 37.99 7
  191.0 30.33 6
  199.1 51.16 10
//