ACCESSION: MSBNK-MSSJ-MSJ00646
RECORD_TITLE: 2-Methylcyclopent-2-en-1-ol; 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 98.07316.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: 2-Methylcyclopent-2-en-1-ol
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07317
CH$SMILES: CC1=CCCC1O
CH$IUPAC: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3
CH$LINK: CAS 3718-58-9
CH$LINK: CHEMSPIDER 14532787
CH$LINK: INCHIKEY TXPJSTNMZHBTRF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12480949

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 2.52 min.

PK$SPLASH: splash10-003v-9000000000-91646715c7b347ee76b8
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  26.016 3.84 38
  27.023 28.8 288
  27.065 0.32 3
  28.006 2.25 22
  28.031 6.7 67
  29.003 8.51 85
  29.039 10.22 102
  29.082 0.18 2
  30.010 0.61 6
  30.045 0.45 4
  31.018 4.57 46
  31.990 1.42 14
  37.008 1.67 17
  38.016 5.19 52
  39.024 42.51 425
  40.031 5.46 55
  41.039 43.53 435
  42.011 2.15 22
  42.046 6.32 63
  43.018 32.01 320
  43.055 2.46 25
  44.026 3.32 33
  45.034 1.45 14
  47.021 0.57 6
  47.525 0.43 4
  48.029 0.36 4
  49.008 0.62 6
  50.016 6.86 69
  51.024 11 110
  51.082 0.14 1
  52.031 5.3 53
  53.003 0.87 9
  53.039 17.31 173
  53.092 0.19 2
  54.046 4.38 44
  55.019 11.13 111
  55.055 30.33 303
  55.160 0.18 2
  56.026 4.74 47
  56.061 3.25 32
  57.034 6.29 63
  57.065 0.22 2
  58.042 1.45 15
  61.008 0.59 6
  62.016 1.44 14
  63.024 2.88 29
  64.031 0.5 5
  65.039 5.75 57
  66.047 1.98 20
  67.055 5.87 59
  68.027 0.49 5
  68.061 0.83 8
  69.034 8.95 89
  69.071 9.45 94
  69.133 0.19 2
  70.042 10.07 101
  70.075 0.86 9
  70.109 0.17 2
  71.049 1.89 19
  74.016 0.62 6
  77.039 10.04 100
  78.046 1.88 19
  79.055 21.24 212
  79.186 0.18 2
  80.062 4.7 47
  81.035 1.46 15
  81.070 4.76 48
  82.042 1.03 10
  82.074 0.31 3
  83.050 100 999
  83.499 0.27 3
  83.814 0.18 2
  84.053 5.71 57
  84.183 0.17 2
  95.050 1.28 13
  96.058 1.17 12
  97.066 41.85 418
  98.073 49.29 492
  98.266 0.16 2
  98.565 0.16 2
  99.077 3.12 31
  100.078 0.22 2
//