MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008983
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008983
RECORD_TITLE: METHYL SALICY LATE; 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$NAME: METHYL SALICY LATE
CH$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$LINK: CAS
119-36-8
CH$LINK: COMPTOX
DTXSID5025659
CH$LINK: INCHIKEY
OSWPMRLSEDHDFF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:4133
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$SPLASH: splash10-00dl-9700000000-8449a003796d4c61d429
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 6.01 60
27 1.98 20
29 4.06 41
30 1 10
31 1.58 16
37 2.29 23
38 7.14 71
39 25.07 251
50 2.94 29
51 1.94 19
53 8.83 88
61 1.62 16
62 4.2 42
63 15.77 158
64 15.64 156
65 25.24 252
66 2.37 24
74 1.33 13
76 1.38 14
77 1.07 11
81 1.57 16
92 64.72 647
93 13.69 137
120 99.99 999
121 30.11 301
122 1.79 18
152 44.49 445
153 3.16 32
//