ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004183
RECORD_TITLE: N-HEXADECYL-5-METHYL-2-RYRROLIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-HEXADECYL-5-METHYL-2-RYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₁NO
CH$EXACT_MASS: 323.31881
CH$SMILES: CCCCCCCCCCCCCCCCN(C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C21H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20(2)17-18-21(22)23/h20H,3-19H2,1-2H3
CH$LINK: INCHIKEY KQSWUMKCKNXRSK-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-2900000000-d9cdd36d47eacf026903
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  26 0.2 2
  27 0.5 5
  28 44 440
  29 0.18 2
  30 1.3 13
  31 0.1 1
  32 1 10
  39 0.02 0
  40 0.1 1
  41 2.1 21
  42 0.6 6
  43 0.26 3
  44 0.7 7
  45 0.1 1
  53 0.1 1
  54 0.02 0
  55 2.7 27
  56 0.8 8
  57 1.5 15
  58 0.02 0
  59 0.1 1
  66 0.1 1
  67 0.3 3
  68 0.01 0
  69 0.7 7
  70 0.5 5
  71 0.3 3
  72 0.01 0
  81 0.1 1
  82 0.5 5
  83 0.9 9
  84 0.16 2
  85 0.3 3
  86 0.2 2
  95 0.1 1
  96 0.02 0
  97 0.3 3
  98 1.8 18
  99 0.4 4
  100 0.08 1
  101 0.1 1
  110 0.1 1
  111 0.2 2
  112 99.99 999
  113 82 820
  114 0.8 8
  115 0.1 1
  126 0.19 2
  127 0.7 7
  128 0.1 1
  138 0.2 2
  139 0.01 0
  140 2.3 23
  141 0.6 6
  142 0.1 1
  154 0.1 1
  155 0.3 3
  156 0.1 1
  166 0.1 1
  167 0.01 0
  168 0.7 7
  169 0.3 3
  170 0.1 1
  182 0.04 0
  183 0.1 1
  196 0.5 5
  197 0.2 2
  208 0.01 0
  210 0.5 5
  211 0.2 2
  212 0.1 1
  224 0.05 1
  225 0.2 2
  238 0.5 5
  239 0.2 2
  252 0.04 0
  253 0.2 2
  254 0.1 1
  266 0.3 3
  267 0.01 0
  268 0.1 1
  280 0.4 4
  281 0.2 2
  294 0.03 0
  295 0.4 4
  296 0.1 1
  306 0.2 2
  307 0.01 0
  308 1.8 18
  309 0.4 4
  310 0.1 1
  322 0.02 0
  323 2.8 28
  324 0.7 7
  325 0.1 1
//