ACCESSION: MSBNK-MSSJ-MSJ00518
RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; ESI-QQ; MS; POSITIVE
DATE: 2020.12.14
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$NAME: 2-(4-Chlorophenyl)ethylamine
CH$COMPOUND_CLASS: Non-natural product; Phenethylamine
CH$FORMULA: C₈H₁₀ClN
CH$EXACT_MASS: 155.05017
CH$SMILES: C1=CC(=CC=C1CCN)Cl
CH$IUPAC: InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
CH$LINK: CAS 156-41-2
CH$LINK: CHEMBL 477764
CH$LINK: CHEMSPIDER 60755
CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67430

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$SPLASH: splash10-052r-0900000000-65ca08fa3ce4932f8af2
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  74 43.77 16
  74.2 50.02 18
  81.5 105.5 39
  81.8 30.77 11
  89.4 21.07 8
  89.7 21.79 8
  90.5 63.38 23
  93 13.79 5
  94 61.02 22
  95 14.55 5
  97.5 168 61
  98.3 13.39 5
  102.1 216.4 79
  103 165.8 61
  103.2 87.08 32
  103.9 17.99 7
  104.2 27.54 10
  105.3 43.06 16
  105.7 17.38 6
  109.2 15.64 6
  109.9 33.53 12
  110.1 42.68 16
  111 22.62 8
  118.2 16.05 6
  123 14.25 5
  123.2 12.43 5
  126 29.5 11
  135.1 129.2 47
  139.1 2736 999
  140.1 246 90
  141.1 898.6 328
  142.1 85.88 31
  144.1 62.42 23
  156.1 1883 688
  157.1 220.5 81
  158.1 677 247
  159.1 49.88 18
  159.4 16.19 6
  167.1 113.5 41
  171.1 14.39 5
  180.1 285.1 104
  181.1 48.97 18
  182.1 113.7 42
  183 46.32 17
  183.2 35.84 13
  184.1 12.78 5
  185.1 44.42 16
  191 25.24 9
  197.3 19.43 7
  199.1 26.42 10
//