ACCESSION: MSBNK-MSSJ-MSJ00538
RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; ESI-QQ; MS; POSITIVE
DATE: 2021.02.26
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$NAME: 2-(4-Nitrophenyl)ethylamine
CH$COMPOUND_CLASS: Non-natural product; 4-Nitrophenethylamine
CH$FORMULA: C₈H₁₀N₂O₂
CH$EXACT_MASS: 166.07422
CH$SMILES: C1=CC(=CC=C1CCN)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C8H10N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H2
CH$LINK: CAS 24954-67-4
CH$LINK: CHEMSPIDER 85860
CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:95153

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$SPLASH: splash10-014i-2900000000-32467b021fcef8624549
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  74.1 123 36
  76.9 20 6
  81.5 306 91
  83.0 22 7
  89.6 41 12
  90.3 58 17
  90.8 239 71
  92.1 57 17
  92.9 18 5
  93.1 23 7
  93.8 18 5
  94.2 24 7
  97.5 452 134
  98.3 24 7
  102.1 513 152
  102.8 44 13
  103.8 22 7
  104.1 66 20
  105.4 30 9
  105.7 29 9
  109.9 77 23
  110.2 42 12
  111.2 20 6
  111.9 16 5
  118.1 16 5
  120.0 49 14
  120.3 30 9
  121.1 21 6
  122.3 50 15
  123.2 20 6
  125.1 17 5
  126.0 36 11
  126.2 30 9
  130.1 33 10
  134.1 34 10
  135.2 18 5
  139.1 35 10
  144.1 24 7
  148.1 31 9
  149.1 21 6
  150.1 16 5
  153.1 36 11
  156.1 110 33
  156.3 62 18
  157.1 24 7
  158.1 100 29
  162.0 19 6
  167.1 3370 999
  168.1 342 101
  169.0 18 5
  169.2 28 8
  181.1 53 16
  182.0 15 5
  182.8 22 6
  183.1 65 19
  185.1 43 13
  190.1 61 18
  191.1 93 27
  193.0 16 5
  197.8 19 6
  199.1 46 14
  200.1 22 7
//