MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010459
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010459
RECORD_TITLE: PARA-FLUOROANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-FLUOROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7FO
CH$EXACT_MASS: 126.04809
CH$SMILES: COc(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
CH$LINK: INCHIKEY
VIPWUFMFHBIKQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3060033
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0059-9600000000-8ab968303968b5f29e86
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 4.95 50
26 1.09 11
29 3.17 32
31 4.45 45
37 2.11 21
38 3 30
39 3.91 39
43 1.98 20
49 1.07 11
50 6.39 64
51 3.63 36
53 1.11 11
56 3.38 34
57 21.84 218
58 1.28 13
61 2.58 26
62 3.56 36
63 6.85 69
64 1.35 14
68 2.09 21
69 3.34 33
70 1.51 15
73 1.15 12
74 3.69 37
75 10.81 108
76 1.05 11
77 1.35 14
81 5.08 51
82 4.06 41
83 75.89 759
84 4.4 44
94 1.42 14
95 9.56 96
96 10.13 101
97 3.96 40
110 1.41 14
111 54.3 543
112 3.96 40
126 99.99 999
127 7.79 78
//
system version 2.2.8-SNAPSHOT