MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008414
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008414
RECORD_TITLE: PARA-HYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6O3
CH$EXACT_MASS: 138.03169
CH$SMILES: Oc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: INCHIKEY
FJKROLUGYXJWQN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026647
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-00di-9700000000-a9bb4b71d8b23a56ca67
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 5.3 53
29 13.3 133
39 12.69 127
41 21.81 218
42 6.02 60
43 10.08 101
53 1.66 17
55 23.31 233
56 15.08 151
57 16.26 163
63 0.9 9
64 1.35 14
65 16.82 168
69 7.96 80
70 74.66 747
71 11.02 110
82 4.39 44
83 23.22 232
84 13.89 139
92 1.7 17
93 17.37 174
94 1.1 11
95 2.38 24
97 0.98 10
112 47.73 477
113 4.65 47
120 0.89 9
121 99.99 999
122 8.86 89
123 0.42 4
138 47.96 480
139 25.66 257
140 2 20
151 0.35 4
250 0.73 7
//
system version 2.2.6-SNAPSHOT