MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003100
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003100
RECORD_TITLE: ACETOAMINOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ACETOAMINOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: CC(=O)Nc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
CH$LINK: INCHIKEY
RZVAJINKPMORJF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020006
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4900000000-ef277124e1b50b5f010e
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
36 1.5 15
37 0.7 7
38 1.8 18
39 0.49 5
40 1.4 14
41 1.9 19
42 2.3 23
43 2.64 26
44 1.2 12
50 1.5 15
51 3 30
52 0.71 7
53 10.7 107
54 3.3 33
55 2.7 27
62 0.13 1
63 2.1 21
64 1.8 18
65 2.2 22
66 0.01 0
67 0.9 9
68 1.3 13
76 0.4 4
77 0.01 0
78 1.6 16
79 19.3 193
80 12.9 129
81 0.27 3
91 0.9 9
93 0.6 6
94 0.6 6
107 0.13 1
108 10.3 103
109 99.99 999
110 8.6 86
111 0.09 1
151 26.9 269
152 3 30
//