ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006679
RECORD_TITLE: 1-ACETOXY-3-(N-ACETYL-2-ACETOXYETHYLAMINO)-5-METHOXY-2,6-DIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1-ACETOXY-3-(N-ACETYL-2-ACETOXYETHYLAMINO)-5-METHOXY-2,6-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H23NO6
CH$EXACT_MASS: 337.15254
CH$SMILES: CC(=O)OCCN(C(C)=O)c(c1)c(C)c(OC(C)=O)c(C)c(OC)1
CH$IUPAC: InChI=1S/C17H23NO6/c1-10-15(18(12(3)19)7-8-23-13(4)20)9-16(22-6)11(2)17(10)24-14(5)21/h9H,7-8H2,1-6H3
CH$LINK: INCHIKEY KZQSYDCXRAAFPA-UHFFFAOYSA-N
AC$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: splash10-000l-9321000000-550a59e098487687503f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  41 6 60
  43 89.5 895
  45 4.5 45
  47 1.95 20
  48 7.5 75
  49 7 70
  57 7 70
  68 0.7 7
  74 3 30
  77 4.5 45
  79 3 30
  83 7.55 76
  85 49.5 495
  87 99.99 999
  88 6 60
  91 0.45 5
  123 3 30
  128 31.5 315
  150 3 30
  166 0.45 5
  167 9 90
  178 18 180
  179 6 60
  180 5.35 54
  181 6 60
  192 10.5 105
  193 18 180
  194 0.45 5
  209 9 90
  210 4.5 45
  220 3 30
  222 1.65 17
  235 24 240
  236 6 60
  251 3.5 35
  252 1.05 11
  253 12 120
  277 9 90
  294 4.5 45
  295 2.15 22
  296 3 30
  337 39 390
  338 7 70
//
