MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009960
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009960
RECORD_TITLE: 6-ACETOXY-3,4-DIHYDRO-2-(2-MERCAPTOETHYL)-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6-ACETOXY-3,4-DIHYDRO-2-(2-MERCAPTOETHYL)-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H24O3S
CH$EXACT_MASS: 308.14462
CH$SMILES: SCCC(C)(C2)Oc(c(C)1)c(C2)c(C)c(OC(C)=O)c(C)1
CH$IUPAC: InChI=1S/C17H24O3S/c1-10-11(2)16-14(12(3)15(10)19-13(4)18)6-7-17(5,20-16)8-9-21/h21H,6-9H2,1-5H3
CH$LINK: INCHIKEY
BZMFPCPZSSVHGT-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-014i-2692000000-0886be9ccf8e324c8661
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
41 4.9 49
43 17.5 175
53 4.5 45
55 0.49 5
67 2.3 23
77 2.3 23
79 2.7 27
91 0.74 7
93 2.5 25
101 17.2 172
107 3.3 33
121 0.44 4
135 3.8 38
136 4.4 44
164 56.5 565
165 8.01 80
166 12.1 121
175 1.4 14
177 2.8 28
189 0.28 3
203 6.3 63
205 5.8 58
207 1.4 14
231 0.28 3
232 15.2 152
233 1.9 19
265 1.3 13
266 99.99 999
267 17.5 175
268 5.9 59
308 32.6 326
309 0.61 6
310 1.4 14
//