MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010523
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010523
RECORD_TITLE: ACETANILIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: ACETANILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO
CH$EXACT_MASS: 135.06841
CH$SMILES: CC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
CH$LINK: CAS
103-84-4
CH$LINK: INCHIKEY
FZERHIULMFGESH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2022543
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000f-9000000000-62d570000b48b0837073
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
14 2.82 28
15 14.11 141
26 1.79 18
27 3.91 39
28 1.87 19
29 1.31 13
37 4.28 43
38 11.22 112
39 43.47 435
40 8.39 84
41 5.6 56
42 7.08 71
43 63.72 637
44 2.21 22
47 1.11 11
50 7.88 79
51 15.01 150
52 8.75 88
53 1.87 19
54 3.14 31
61 1.65 17
62 5.44 54
63 10.86 109
64 9.93 99
65 36.99 370
66 33.37 334
67 4.27 43
74 1.87 19
75 1.52 15
76 1.24 12
77 9.29 93
78 2.64 26
91 4.35 44
92 9.77 98
93 99.99 999
94 12.14 121
106 2.12 21
135 43.35 434
136 4.72 47
//