MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010794
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010794
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 4-NITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021834
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00kr-9800000000-922ed2e0967364251838
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
40 4.66 47
43 1.31 13
50 4.3 43
51 5.1 51
52 6.82 68
53 10.96 110
54 2.19 22
55 1.47 15
57 1.83 18
61 2.55 26
62 5.34 53
63 11.36 114
64 6.3 63
65 53.53 535
66 4.38 44
74 2.59 26
75 1.99 20
79 1.75 18
80 1.39 14
81 10.25 103
92 1.59 16
93 19.9 199
94 1.47 15
105 1.75 18
107 9.25 93
108 1.79 18
109 15.47 155
110 1.83 18
123 4.82 48
135 3.51 35
139 99.99 999
140 7.06 71
//