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
//