MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008995
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008995
RECORD_TITLE: PHENYL SALICYLATE; 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$NAME: PHENYL SALICYLATE
CH$NAME: SALOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O3
CH$EXACT_MASS: 214.06299
CH$SMILES: Oc(c2)c(ccc2)C(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
CH$LINK: CAS
118-55-8
CH$LINK: INCHIKEY
ZQBAKBUEJOMQEX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021957
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$SPLASH: splash10-00di-4900000000-fcc0d5e766dfb52cf2d9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
40 1.75 18
50 1.58 16
51 2.47 25
53 2.32 23
62 1.28 13
63 4.45 45
64 3.45 35
65 18.1 181
66 2.54 25
92 4.53 45
93 7.9 79
94 2.94 29
120 2.44 24
121 99.99 999
122 6.69 67
214 7.68 77
215 1.28 13
//