MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010315
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010315
RECORD_TITLE: PARA-HYDROXYBENZOIC ACID; 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$NAME: PARA-HYDROXYBENZOIC ACID
CH$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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00dr-4900000000-97bfa38b0d6bc152d470
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 1.72 17
29 2.5 25
37 1.62 16
38 3.45 35
39 13.63 136
45 4.38 44
50 1.64 16
51 1.09 11
53 3.05 31
55 1.71 17
61 1.18 12
62 2.74 27
63 8.5 85
64 2.54 25
65 17.02 170
66 1.9 19
81 1.68 17
92 1.58 16
93 7 70
95 1.24 12
105 1.52 15
110 1.57 16
121 99.99 999
122 10.34 103
138 38.57 386
139 24.66 247
140 2.05 21
//
system version 2.2.8-SNAPSHOT