ACCESSION: MSBNK-MSSJ-MSJ00597
RECORD_TITLE: 3-((tert-Butyldimethylsilyl)oxy)-2,2-dimethylpropanal; GC-EI-TOF; MS; positive; EI; 70 V
DATE: 2021.02.24
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, Tetrahedron 75 (2019) 3387-3398, DOI:10.1016/j.tet.2019.04.055.
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 159.08413.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: 3-((tert-Butyldimethylsilyl)oxy)-2,2-dimethylpropanal
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₁₁H₂₄O₂Si
CH$EXACT_MASS: 216.15456
CH$SMILES: CC(C)(C)[Si](C)(C)OCC(C)(C)C=O
CH$IUPAC: InChI=1S/C11H24O2Si/c1-10(2,3)14(6,7)13-9-11(4,5)8-12/h8H,9H2,1-7H3
CH$LINK: CAS 144681-67-4
CH$LINK: CHEMSPIDER 8831730
CH$LINK: INCHIKEY PLPBSUJOMPJZJF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10656375

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 6.64 min.

PK$SPLASH: splash10-0ar0-9800000000-a9c604714f7d6f8dad81
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  27.023 3.01 30
  28.006 1.57 16
  28.031 0.63 6
  28.985 0.7 7
  29.003 1.58 16
  29.039 8.05 80
  31 1.22 12
  31.99 0.6 6
  39.024 3.86 39
  40.031 0.51 5
  41.039 11.17 112
  41.091 0.13 1
  41.993 0.28 3
  42.045 0.66 7
  43 5.07 51
  43.055 2.99 30
  44.007 0.64 6
  44.98 6.49 65
  45.016 4.17 42
  45.98 0.35 3
  46.016 0.25 3
  46.995 6.33 63
  47.995 0.31 3
  51.025 0.47 5
  53.039 1.2 12
  55.001 0.47 5
  55.055 2.83 28
  56.063 2.15 21
  57.017 0.75 7
  57.071 5.07 51
  58.024 5.64 56
  58.074 0.27 3
  58.995 1 10
  59.032 22.34 223
  59.139 0.11 1
  60.003 1.22 12
  60.032 1.48 15
  61.011 4.43 44
  62.011 0.28 3
  67.055 0.33 3
  69.034 0.47 5
  69.071 0.29 3
  71.032 0.38 4
  72.039 0.46 5
  73.047 34.02 340
  74.019 0.79 8
  74.048 2.64 26
  75.026 88.34 882
  75.455 0.24 2
  75.744 0.16 2
  76.027 5.96 60
  77.023 3.1 31
  83.032 0.45 4
  85.011 0.49 5
  85.048 4.24 42
  86.05 0.41 4
  87.027 0.72 7
  88.035 1.55 16
  89.042 10.18 102
  89.115 0.13 1
  90.043 0.8 8
  91.039 0.37 4
  97.048 0.28 3
  99.027 2.03 20
  99.063 2.13 21
  100.029 0.2 2
  100.068 0.42 4
  101.006 0.48 5
  101.042 3.97 40
  102.044 0.36 4
  103.022 0.6 6
  103.057 0.79 8
  111.027 0.47 5
  113.042 2.57 26
  114.045 0.32 3
  115.058 72.46 724
  115.588 0.22 2
  116.059 7.23 72
  116.342 0.11 1
  117.042 4.32 43
  118.039 0.38 4
  127.058 0.25 2
  129.074 29.8 298
  130.076 3.44 34
  131.072 1.14 11
  132.097 4.24 42
  133.102 1.05 11
  134.098 0.2 2
  141.074 0.74 7
  143.053 1.26 13
  145.069 1.13 11
  157.105 0.34 3
  159.084 100 999
  159.535 0.21 2
  159.709 0.29 3
  160.086 12.35 123
  160.614 0.17 2
  161.083 4.1 41
  162.085 0.36 4
  171.121 0.2 2
  186.144 0.47 5
  201.131 1.66 17
  202.133 0.27 3
//