ACCESSION: MSBNK-MSSJ-MSJ02352
RECORD_TITLE: N-Ethylglycine; GC-EI-TOF; MS; POSITIVE; EI; 70 V; TBDMS
DATE: 2022.09.30
AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 22HP8019 to the Mass Spectrometry Society of Japan.
COMMENT: Original ID of the mass spectral data is 2201a4T_ei.xlsx.
COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. The m/z value was adjusted with 160.07938.

CH$NAME: N-Ethylglycine
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₄H₉NO₂
CH$EXACT_MASS: 103.0633285
CH$SMILES: CCNCC(=O)O
CH$IUPAC: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
CH$LINK: CHEMSPIDER 280126
CH$LINK: INCHIKEY YPIGGYHFMKJNKV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:316542

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
AC$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 He, 1 ml/min
AC$CHROMATOGRAPHY: COLUMN_NAME DB-5MS UI 122-5532UI US0462866H (Agilent, Wilmington, USA) with the length 30 m, I.D. 0.25 mm, and thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 7.77 min.

MS$FOCUSED_ION: DERIVATIVE_FORM C10H23NO2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 217.1498
MS$FOCUSED_ION: DERIVATIVE_TYPE TBDMS

PK$SPLASH: splash10-0a4i-9100000000-8ee2953eb95ef0a84914
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  27.024 1.0071 10
  28.019 1.5202 15
  28.05 0.0573 1
  28.985 0.1964 2
  29.04 3.2744 33
  29.07 0.0931 1
  30.035 9.3827 94
  30.147 0.0667 1
  31.002 0.2126 2
  31.038 0.1222 1
  39.025 0.552 6
  40.031 0.0827 1
  41.04 1.9805 20
  42.036 2.1271 21
  43.001 1.2214 12
  43.043 0.4611 5
  44.007 0.2276 2
  44.051 5.589 56
  44.08 0.0939 1
  44.981 2.1799 22
  45.017 1.3095 13
  45.054 0.1793 2
  45.981 0.1232 1
  46.996 2.2937 23
  47.997 0.1068 1
  55.001 0.116 1
  55.056 0.178 2
  56.051 2.9574 30
  57.017 0.2238 2
  57.071 1.6285 16
  57.125 0.0764 1
  57.991 0.0605 1
  58.025 1.2819 13
  58.066 100 999
  58.339 0.2243 2
  58.442 0.3115 3
  58.699 0.2032 2
  58.789 0.0662 1
  58.997 0.3934 4
  59.032 2.0905 21
  59.069 3.3209 33
  59.294 0.1237 1
  59.339 0.0814 1
  59.52 0.0747 1
  59.577 0.1113 1
  59.621 0.0824 1
  59.84 0.0824 1
  60.004 0.4917 5
  60.07 0.0849 1
  61.012 1.21 12
  66.799 0.0866 1
  68.051 0.1312 1
  70.029 0.1643 2
  72.04 0.5559 6
  72.529 0.3423 3
  73.048 9.7071 97
  73.115 0.1713 2
  73.149 0.0834 1
  73.458 0.0695 1
  74.02 0.5183 5
  74.049 0.84 8
  75.027 20.9632 209
  75.197 0.0916 1
  75.393 0.1118 1
  75.42 0.1073 1
  76.028 1.4798 15
  77.024 0.8101 8
  84.042 0.0729 1
  85.048 0.2288 2
  86.043 0.2958 3
  87.05 0.2594 3
  88.031 0.2121 2
  89.044 0.1984 2
  93.72 0.0665 1
  99.063 0.2579 3
  100.06 0.113 1
  101.007 0.3383 3
  102.038 0.1399 1
  102.074 0.1912 2
  103.022 10.8994 109
  103.164 0.0919 1
  104.023 0.8173 8
  105.022 0.3983 4
  114.077 0.0988 1
  115.094 0.4479 4
  116.031 0.4046 4
  116.091 0.2627 3
  117.037 0.7598 8
  118.041 0.1205 1
  130.069 0.2885 3
  132.085 0.6774 7
  133.086 0.0861 1
  142.069 0.8594 9
  143.07 0.1088 1
  144.049 0.2422 2
  145.067 0.1601 2
  146.062 0.1643 2
  159.078 0.1058 1
  160.079 17.1377 171
  160.633 0.0849 1
  160.716 0.0968 1
  161.081 1.92 19
  161.189 0.0695 1
  162.078 0.6812 7
  202.126 1.2199 12
  203.128 0.1984 2
  216.139 0.2198 2
  217.149 0.172 2
  218.143 0.0919 1
//