ACCESSION: MSBNK-MSSJ-MSJ00658
RECORD_TITLE: Methyl [(1R)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate; GC-EI-TOF; MS; positive; EI; 70 V
DATE: 2021.03.05
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: 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$NAME: Methyl [(1R)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate
CH$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?/m1/s1
CH$LINK: INCHIKEY HYUUYHFTHLSBQI-HDDMYIMNSA-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$SPLASH: splash10-08i3-9500000000-d4ef2a193de1f805fb88
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  26.016 0.66 7
  27.024 14.11 141
  27.065 0.16 2
  28.006 6.5 65
  28.032 2.19 22
  29.003 3.78 38
  29.040 10 100
  29.078 0.15 1
  30.011 0.27 3
  30.043 0.24 2
  31.019 1.93 19
  31.990 2.15 21
  33.035 0.32 3
  38.016 0.76 8
  39.024 21.84 218
  40.031 4.03 40
  41.040 37.73 377
  42.012 4.32 43
  42.046 2.88 29
  43.019 82.26 822
  43.055 6.13 61
  43.342 0.24 2
  43.571 0.16 2
  43.820 0.13 1
  44.023 2.12 21
  44.059 0.31 3
  44.998 0.39 4
  45.035 2.97 30
  50.016 0.91 9
  51.024 3.21 32
  52.032 1.72 17
  53.040 14.13 141
  53.098 0.18 2
  54.047 3.53 35
  55.019 7.25 72
  55.055 38.62 386
  56.025 0.54 5
  56.060 2.11 21
  57.035 2.6 26
  57.071 0.85 8
  58.042 2.64 26
  59.014 15.86 158
  59.050 2.53 25
  60.018 0.35 3
  61.030 0.21 2
  63.024 0.69 7
  65.040 4.98 50
  66.047 2.17 22
  67.019 0.45 4
  67.055 20.29 203
  68.026 0.53 5
  68.062 6.48 65
  69.035 4.72 47
  69.071 8.99 90
  70.041 0.63 6
  70.075 0.62 6
  71.050 6.38 64
  72.057 1.57 16
  73.066 1.12 11
  74.037 4.15 41
  75.045 6.32 63
  76.047 0.24 2
  77.040 6.29 63
  78.046 1.02 10
  79.055 12.31 123
  79.332 0.14 1
  80.062 2.31 23
  81.035 1.55 16
  81.071 18.28 183
  82.042 5.69 57
  82.078 5.26 53
  83.050 5.49 55
  83.086 4.34 43
  83.163 0.13 1
  84.056 0.62 6
  84.090 0.33 3
  85.029 0.82 8
  85.066 4.45 44
  86.073 2.07 21
  87.045 0.33 3
  87.079 0.23 2
  91.055 7.88 79
  92.061 1.61 16
  93.071 8.88 89
  93.140 0.13 1
  94.043 0.3 3
  94.078 3.16 32
  95.050 42.03 420
  95.086 6.96 70
  95.485 0.13 1
  95.531 0.14 1
  96.056 8.18 82
  96.093 1.37 14
  96.185 0.13 1
  97.029 0.63 6
  97.065 3.39 34
  97.102 2.41 24
  98.072 0.6 6
  99.045 1.44 14
  99.081 4.8 48
  100.085 0.32 3
  101.061 0.5 5
  105.071 1.77 18
  106.078 1.27 13
  107.050 0.45 4
  107.086 12.22 122
  108.058 1.08 11
  108.090 1.25 12
  109.066 63.95 639
  109.203 0.79 8
  109.534 0.18 2
  109.584 0.19 2
  109.947 0.14 1
  110.073 100 999
  110.591 0.26 3
  111.080 33.05 330
  111.289 0.14 1
  112.084 2.68 27
  113.061 1.41 14
  114.068 2.72 27
  115.071 0.22 2
  119.050 0.33 3
  123.081 1.71 17
  124.052 0.4 4
  124.089 1.35 13
  125.097 82.18 821
  125.648 0.22 2
  126.100 7.14 71
  126.183 0.12 1
  127.040 0.92 9
  127.076 7.6 76
  127.163 0.13 1
  128.083 2.28 23
  129.085 0.21 2
  135.081 3.82 38
  136.085 0.45 4
  137.060 2.21 22
  139.076 0.43 4
  140.083 0.31 3
  141.092 0.79 8
  142.099 0.51 5
  151.076 0.34 3
  152.083 0.91 9
  153.092 7.32 73
  154.095 0.75 8
  166.098 0.52 5
  168.114 0.37 4
  169.087 2.66 27
  170.090 0.28 3
  184.110 0.52 5
//