MassBank Record: MSBNK-MSSJ-MSJ00509
ACCESSION: MSBNK-MSSJ-MSJ00509
RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; ESI-QTOF; MS; POSITIVE
DATE: 2020.12.25
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$NAME: 2-(4-Fluorophenyl)ethylamine
CH$COMPOUND_CLASS: Non-natural product; Phenethylamine
CH$FORMULA: C8H10FN
CH$EXACT_MASS: 139.07972
CH$SMILES: C1=CC(=CC=C1CCN)F
CH$IUPAC: InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
CH$LINK: CAS
1583-88-6
CH$LINK: CHEMSPIDER
4492
CH$LINK: INCHIKEY
CKLFJWXRWIQYOC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:4653
AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
PK$SPLASH: splash10-00di-0900000000-6f271e0916492cecd1fa
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
103 1427 157
123 9084 999
124.1 959 105
140.1 1499 165
//
system version 2.2.6-SNAPSHOT