MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008985
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008985
RECORD_TITLE: PROPYL 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$NAME: PROPYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: CCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
CH$LINK: INCHIKEY
LZFIOSVZIQOVFW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3046790
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$SPLASH: splash10-00di-6900000000-43c71bc96fc885196550
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 9.26 93
29 1.87 19
38 2.08 21
39 15.21 152
41 7.42 74
42 1.03 10
43 6.13 61
53 2.88 29
62 1.17 12
63 4.53 45
64 6.5 65
65 15.4 154
66 1.19 12
81 1.14 11
92 26.97 270
93 6.93 69
120 99.99 999
121 26.17 262
122 1.95 20
138 14.75 148
180 19.07 191
181 1.94 19
//