MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000065
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000065
RECORD_TITLE: METHYL SALICYLATE; 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$NAME: METHYL SALICYLATE
CH$NAME: METHYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
CH$LINK: INCHIKEY
OSWPMRLSEDHDFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025659
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-00dl-9800000000-4c121b87ee97a30f4150
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 1.28 13
29 2.78 28
38 4.78 48
39 20.47 205
50 2.14 21
51 1.64 16
53 5.85 59
62 2.85 29
63 12.84 128
64 16.12 161
65 24.18 242
66 2.14 21
92 66.62 666
93 17.33 173
94 1.78 18
120 99.99 999
121 30.88 309
122 2.07 21
137 0.71 7
152 41.37 414
153 3.57 36
//