MassBank Record: MSBNK-MSSJ-MSJ00538
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
//