ACCESSION: MSBNK-MSSJ-MSJ02350
RECORD_TITLE: N-Ethylglycine; GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
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 2201a4M2_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 247.1424.

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 7.4 min.

MS$FOCUSED_ION: DERIVATIVE_FORM C10H25NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 247.14238
MS$FOCUSED_ION: DERIVATIVE_TYPE 2TMS

PK$SPLASH: splash10-001i-5900000000-a31104859e48aee2e283
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  27.024 0.1657 2
  28.007 0.3027 3
  28.019 0.428 4
  28.985 0.4085 4
  29.04 0.6565 7
  30.035 0.1907 2
  31.001 0.3821 4
  31.991 0.1527 2
  41.993 0.1176 1
  42.035 1.2143 12
  43.001 1.6605 17
  43.037 0.0577 1
  44.008 1.1681 12
  44.98 0.4625 5
  45.016 6.6152 66
  46.017 0.4051 4
  46.996 0.3794 4
  47.013 0.2348 2
  55.001 0.2148 2
  55.042 0.1195 1
  55.997 0.198 2
  56.05 1.7637 18
  57.017 0.4856 5
  57.057 0.2686 3
  58.024 0.8483 8
  58.066 0.19 2
  59.032 4.5833 46
  60.033 0.3239 3
  61.012 0.3959 4
  66.022 0.3181 3
  70.024 0.1973 2
  71.032 0.2614 3
  72.039 0.9007 9
  73.048 52.0361 520
  73.468 0.1418 1
  73.751 0.0985 1
  73.837 0.0665 1
  74.049 4.2984 43
  74.355 0.0529 1
  74.411 0.073 1
  74.689 0.0555 1
  74.749 0.0536 1
  75.028 2.5508 25
  76.028 0.2018 2
  77.024 0.15 1
  80.536 0.1112 1
  85.05 0.1273 1
  86.043 1.6278 16
  86.097 0.0751 1
  87.05 0.7515 8
  88.038 0.1182 1
  89.043 0.092 1
  94.551 0.2181 2
  100.022 0.0881 1
  100.058 0.6946 7
  101.005 0.0958 1
  101.066 0.3609 4
  102.074 0.4565 5
  103.008 0.1845 2
  103.06 0.061 1
  105.018 0.1159 1
  108.548 0.4584 5
  109.049 0.109 1
  114.074 0.8054 8
  115.003 0.0888 1
  115.079 0.2176 2
  116.09 0.5985 6
  117.021 0.4205 4
  117.09 0.0751 1
  119.035 0.2682 3
  128.089 0.1748 2
  129.097 0.1384 1
  130.105 100 999
  130.514 0.2043 2
  130.67 0.2821 3
  131.035 1.021 10
  131.107 12.4162 124
  131.49 0.1453 1
  132.034 0.2134 2
  132.103 3.9403 39
  132.184 0.0764 1
  132.324 0.0869 1
  132.786 0.0601 1
  133.051 2.073 21
  133.106 0.3099 3
  133.206 0.0521 1
  134.051 0.3132 3
  135.048 0.1615 2
  142.07 0.0982 1
  144.049 0.5353 5
  145.05 0.0765 1
  147.066 13.6171 136
  148.067 2.1658 22
  149.063 1.106 11
  150.065 0.1163 1
  158.064 0.5684 6
  159.066 0.0933 1
  174.087 0.076 1
  175.061 0.4532 5
  176.064 0.0919 1
  204.124 3.9767 40
  205.125 0.7874 8
  206.122 0.3519 4
  218.138 0.1544 2
  232.119 1.6176 16
  233.12 0.3438 3
  234.119 0.1456 1
  246.136 0.0786 1
  247.142 0.9072 9
  248.146 0.1981 2
  249.142 0.0799 1
//