ACCESSION: MSBNK-MSSJ-MSJ00660
RECORD_TITLE: Methyl [(1S)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate; GC-EI-TOF; MS; positive; EI; 70 V
DATE: 2021.02.28
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$NAME: Methyl [(1S)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]acetate
CH$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 7.19 min.

PK$SPLASH: splash10-08i3-9500000000-9c5d65d07903c7ab5148
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
  26.016 0.69 7
  27.024 14.39 144
  27.052 0.16 2
  28.006 8.85 88
  28.031 2.46 25
  29.003 3.91 39
  29.04 9.84 98
  30.011 0.29 3
  30.043 0.2 2
  31.019 2.07 21
  31.990 3 30
  33.035 0.37 4
  38.016 0.74 7
  39.024 22.29 223
  39.963 0.21 2
  40.031 4.11 41
  41.040 39.22 392
  42.011 4.45 44
  42.046 3.08 31
  43.019 91.02 909
  43.055 6.2 62
  43.343 0.28 3
  43.568 0.19 2
  43.803 0.14 1
  44.023 2.41 24
  44.059 0.26 3
  44.998 0.42 4
  45.035 2.9 29
  50.016 0.95 9
  51.024 3.34 33
  52.032 1.95 19
  53.040 14.39 144
  54.047 3.56 36
  55.019 6.57 66
  55.055 37.33 373
  56.025 0.59 6
  56.060 2.13 21
  57.035 2.63 26
  57.071 0.79 8
  58.042 2.74 27
  59.014 16.27 163
  59.050 2.22 22
  59.116 0.12 1
  60.018 0.4 4
  61.030 0.2 2
  63.024 0.74 7
  65.040 5.35 53
  66.047 2.21 22
  67.019 0.47 5
  67.055 20.57 205
  68.027 0.54 5
  68.062 6.87 69
  69.034 4.29 43
  69.071 9.18 92
  70.041 0.52 5
  70.075 0.63 6
  71.050 6.18 62
  72.057 1.48 15
  73.066 1.05 10
  74.037 4.67 47
  75.045 6.39 64
  76.049 0.28 3
  77.040 6.39 64
  78.046 0.96 10
  79.055 11.32 113
  79.338 0.14 1
  80.062 2.26 23
  81.035 1.44 14
  81.071 18.05 180
  81.201 0.11 1
  82.042 5.7 57
  82.078 5.01 50
  83.050 5.37 54
  83.086 4.29 43
  84.056 0.63 6
  84.090 0.3 3
  85.029 0.85 8
  85.066 4.44 44
  86.073 2.15 22
  87.045 0.35 3
  87.079 0.26 3
  91.055 7.15 71
  92.061 1.4 14
  93.071 8.39 84
  93.142 0.13 1
  94.041 0.3 3
  94.077 1.73 17
  95.050 43.86 438
  95.086 5.23 52
  95.507 0.14 1
  96.057 8.68 87
  96.093 1.21 12
  97.065 3.45 34
  97.101 0.57 6
  98.072 0.56 6
  99.045 1.09 11
  99.081 4.81 48
  100.085 0.41 4
  101.06 0.43 4
  104.063 0.2 2
  105.071 1.35 13
  106.078 1.09 11
  107.086 7.74 77
  107.165 0.14 1
  108.058 1.07 11
  108.090 0.74 7
  109.066 64.23 642
  109.203 0.81 8
  109.529 0.19 2
  109.907 0.13 1
  109.938 0.14 1
  110.073 100 999
  110.592 0.24 2
  110.942 0.14 1
  111.080 46.31 463
  112.085 3.77 38
  113.061 1.54 15
  114.068 2.78 28
  115.070 0.23 2
  117.070 0.19 2
  119.049 0.28 3
  123.081 1.53 15
  124.053 0.4 4
  124.088 1.34 13
  125.097 80.6 805
  125.649 0.23 2
  126.100 7.35 73
  127.040 0.95 9
  127.076 8.65 86
  127.169 0.16 2
  128.083 2.4 24
  129.083 0.21 2
  137.060 2.04 20
  138.064 0.21 2
  139.077 0.41 4
  140.083 0.27 3
  141.092 0.8 8
  142.099 0.54 5
  151.076 0.39 4
  152.083 0.8 8
  153.092 12.61 126
  154.095 1.34 13
  155.096 0.17 2
  166.099 0.55 6
  169.087 2.85 28
  170.091 0.32 3
  184.109 0.61 6
//