ACCESSION: MSBNK-MSSJ-MSJ00662
RECORD_TITLE: Methyl [(1S)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate; GC-EI-TOF; MS; positive; EI; 70 V
DATE: 2021.02.26
AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: Kenji Mori and Jun Tabata, Tetrahedron 73 (2017) 6530-6541, DOI:10.1016/j.tet.2017.09.046.
COMMENT: The sample analyzed was a mixture of diastereomers.
COMMENT: JMS-T100GCV is a reflectron time-of-flight (refTOF) mass spectrometer. Temperatures of the ion source and GC-transfer line were 200 C and 250 C. Resolving power (FWHM, nominal) was 7,000.
COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. Postrun m/z adjustment with known mass was 153.09155.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: Methyl [(1S)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₁₀H₁₆O₃
CH$EXACT_MASS: 184.10994
CH$SMILES: CC12OC1CC[C@@]2(C)CC(=O)OC
CH$IUPAC: InChI=1S/C10H16O3/c1-9(6-8(11)12-3)5-4-7-10(9,2)13-7/h7H,4-6H2,1-3H3/t7?,9-,10?/m0/s1
CH$LINK: INCHIKEY HYUUYHFTHLSBQI-ZAJCDATESA-N

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Agilent, Wilmington, USA) gas chromatograph.
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: CARRIER_GAS Helium
AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091 J-413 USD364547H (Agilent, Wilmington, USA), length 30 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at initial oven temp. 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temp. for 1.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 7.31 min.

PK$SPLASH: splash10-08i3-9500000000-05262b7d83fa206088f3
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  26.016 0.65 6
  27.024 13.96 139
  28.006 5.45 54
  28.031 2.30 23
  29.003 3.78 38
  29.040 9.86 98
  29.084 0.14 1
  30.011 0.27 3
  31.019 1.94 19
  31.990 1.80 18
  33.034 0.32 3
  38.016 0.72 7
  39.024 21.65 216
  40.031 3.88 39
  41.040 37.94 379
  42.011 4.47 45
  42.046 2.94 29
  43.019 82.14 821
  43.055 6.06 61
  43.343 0.25 2
  43.567 0.16 2
  43.811 0.12 1
  44.023 2.12 21
  44.059 0.27 3
  44.999 0.38 4
  45.034 2.93 29
  50.016 0.91 9
  51.024 3.28 33
  52.032 1.80 18
  53.040 14.23 142
  54.047 3.46 35
  55.019 6.99 70
  55.055 38.70 387
  56.025 0.54 5
  56.060 2.03 20
  57.035 2.58 26
  57.071 0.79 8
  58.042 2.74 27
  59.014 15.96 159
  59.050 2.47 25
  60.018 0.36 4
  61.029 0.23 2
  63.024 0.71 7
  65.040 5.18 52
  66.047 2.09 21
  67.019 0.43 4
  67.055 20.58 206
  67.174 0.12 1
  68.027 0.54 5
  68.062 6.50 65
  69.035 4.65 46
  69.071 8.91 89
  70.041 0.58 6
  70.075 0.60 6
  71.050 6.32 63
  72.057 1.47 15
  73.066 1.05 11
  74.037 4.17 42
  75.045 6.40 64
  76.048 0.21 2
  77.040 6.45 64
  78.046 0.98 10
  79.055 12.59 126
  79.335 0.12 1
  80.062 2.37 24
  81.035 1.53 15
  81.071 18.17 182
  82.042 5.52 55
  82.078 5.18 52
  83.050 5.65 56
  83.086 4.34 43
  84.056 0.59 6
  84.090 0.31 3
  85.030 0.78 8
  85.066 4.46 45
  86.073 1.98 20
  87.045 0.34 3
  91.055 8.10 81
  91.134 0.11 1
  92.062 1.58 16
  93.071 8.81 88
  93.143 0.12 1
  94.043 0.32 3
  94.078 3.37 34
  95.050 42.42 424
  95.086 7.00 70
  95.480 0.12 1
  96.057 8.08 81
  96.093 1.34 13
  97.029 0.61 6
  97.065 3.41 34
  97.102 2.50 25
  98.072 0.57 6
  98.106 0.21 2
  99.045 1.39 14
  99.081 4.71 47
  100.085 0.33 3
  101.061 0.51 5
  105.071 1.67 17
  106.078 1.28 13
  107.086 12.38 124
  108.058 1.09 11
  108.090 1.18 12
  109.066 64.23 642
  109.203 0.81 8
  109.579 0.20 2
  110.073 100 999
  110.594 0.23 2
  111.080 32.65 326
  111.291 0.12 1
  112.084 2.58 26
  113.061 1.41 14
  114.068 2.75 28
  115.071 0.23 2
  119.050 0.32 3
  123.081 1.65 16
  124.053 0.38 4
  124.089 1.36 14
  125.097 81.36 813
  125.649 0.24 2
  126.100 7.00 70
  126.457 0.12 1
  127.040 0.91 9
  127.076 7.74 77
  128.083 2.31 23
  129.086 0.16 2
  135.081 3.89 39
  136.085 0.45 5
  137.060 2.23 22
  138.064 0.21 2
  139.075 0.46 5
  140.083 0.28 3
  141.092 0.80 8
  142.099 0.50 5
  151.076 0.36 4
  152.083 0.90 9
  153.092 7.34 73
  154.095 0.77 8
  166.099 0.51 5
  168.115 0.38 4
  169.087 2.65 27
  170.090 0.27 3
  184.110 0.53 5
//