MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010861
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010861
RECORD_TITLE: ETHYL 4-HYDROXYBEZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-HYDROXYBEZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: CCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
CH$LINK: INCHIKEY
NUVBSKCKDOMJSU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022528
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-6900000000-6a0e4e400b0c9ced0ae9
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.4 14
26 1.8 18
27 7.9 79
29 6 60
38 3 30
39 17 170
50 1.9 19
51 1.5 15
53 3.1 31
62 1.8 18
63 7 70
64 3.4 34
65 21.6 216
66 1.8 18
75 1.1 11
81 1.2 12
92 2.6 26
93 15.3 153
94 1.4 14
121 99.99 999
122 10.4 104
138 18 180
139 1.1 11
166 18.5 185
167 1.4 14
//